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EVODEX.1-P4040

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C:23]([C@@:22]([O:21][C:20]([C:19]([C:18]([C:17]([C:16](=[C:15]([C:14]([C:13](=[C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:135])([H:136])[H:137])([H:133])[H:134])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])[H:126])[H:125])([H:123])[H:124])[H:122])[H:121])([H:119])[H:120])[H:118])[H:117])([H:115])[H:116])[H:114])[H:113])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([C:42]([O:43][P:44](=[O:45])([O:46][H:88])[O:47][C:48]([C:49]([N+:50]([C:51]([H:89])([H:90])[H:91])([C:52]([H:92])([H:93])[H:94])[C:53]([H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:104])([H:86])[H:87].[H][O:54][H:138]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20]([O:21][C@:22]([C:23]([O:54][H:138])([H:86])[H:87])([C:42]([O:43][P:44](=[O:45])([O:46][H:88])[O:47][C:48]([C:49]([N+:50]([C:51]([H:89])([H:90])[H:91])([C:52]([H:92])([H:93])[H:94])[C:53]([H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])[H:117])[H:118])([H:119])[H:120])[H:121])[H:122])([H:123])[H:124])[H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])([H:136])[H:137]

Derived Operators

EVODEX.1-F418 - Elemental Balance

O-2
C-16
H-32

EVODEX.1-M406 - Mass Difference

-256.24036

EVODEX.1-E1227 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:23]-[#6:24](-[#8]-[#6](=[#8])-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H:75])-[H:76].[#8:43](-[H:124])-[H]>>[#6:23]-[#6:24](-[#8:43]-[H:124])(-[H:75])-[H:76]

EVODEX.1-C894 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:23]-[#6@@:22].[H]-[#8:54]>>[#6:23](-[#6@:22])-[#8:54]

EVODEX.1-N1119 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:23](-[#6@@:22](-[#8:21])(-[#6:42])-[H:104])(-[H:86])-[H:87].[H]-[#8:54]-[H:138]>>[#8:21]-[#6@:22](-[#6:23](-[#8:54]-[H:138])(-[H:86])-[H:87])(-[#6:42])-[H:104]

EVODEX.1-Em69 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#8]-[#6:20]-[#6:19].[H]-[#8:50]>>[#6:19]-[#6:20]-[#8:50]

EVODEX.1-Cm6 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:7].[#8]-[#6:11]>>[#8:7]-[#6:11]

EVODEX.1-Nm83 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#8]-[#6:20]-[#6:19].[H]-[#8:50]>>[#6:19]-[#6:20]-[#8:50]

Source Full Reactions

EVODEX.1-R4883

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20]([O:21][C@:22]([C:23]([O:24][C:25](=[O:26])[C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([C:42]([O:43][P:44](=[O:45])([O:46][H:88])[O:47][C:48]([C:49]([N+:50]([C:51]([H:89])([H:90])[H:91])([C:52]([H:92])([H:93])[H:94])[C:53]([H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])[H:117])[H:118])([H:119])[H:120])[H:121])[H:122])([H:123])[H:124])[H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])([H:136])[H:137].[H][O:54][H:138]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20]([O:21][C@:22]([C:23]([O:54][H:138])([H:86])[H:87])([C:42]([O:43][P:44](=[O:45])([O:46][H:88])[O:47][C:48]([C:49]([N+:50]([C:51]([H:89])([H:90])[H:91])([C:52]([H:92])([H:93])[H:94])[C:53]([H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])[H:117])[H:118])([H:119])[H:120])[H:121])[H:122])([H:123])[H:124])[H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])([H:136])[H:137].[H][O:24][C:25](=[O:26])[C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85]