EVODEX.1-P1490

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E210 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#8:5]-[H].[#6:6]-[#8:7]-[#6:8](=[#8:9])-[#6:10]>>[#6:4]-[#8:5]-[#6:8](=[#8:9])-[#6:10].[#6:6]-[#8:7]-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N73 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#8:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:9]-[#6:10]>>[#6:4](=[#8:5])(-[#6:6])-[#8:9]-[#6:10].[H]-[#8:3]-[#6:2]

EVODEX.1-Em430 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:2]-[#8:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:9]-[#6:10]>>[#6:4](=[#8:5])(-[#6:6])-[#8:9]-[#6:10].[H]-[#8:3]-[#6:2]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm128 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#8:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:9]-[#6:10]>>[#6:4](=[#8:5])(-[#6:6])-[#8:9]-[#6:10].[H]-[#8:3]-[#6:2]

Source Full Reactions

EVODEX.1-R2017

Full Reaction Rendering

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