EVODEX Logo

EVODEX.1-P1248

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:4](=[C:2]([C:1]([H:106])([H:107])[H:108])[C:3]([H:59])([H:60])[H:61])[C:5]([C:6]([C@@:7]([C:8]([H:62])([H:63])[H:64])([C@@:9]1([H:65])[C:10]([H:66])([H:67])[C:11]([H:68])([H:69])[C@@:12]2([C:13]([H:70])([H:71])[H:72])[C@:14]3([H:73])[C:15]([H:74])([H:75])[C:16]([H:76])([H:77])[C@:17]4([H:78])[C:18]([C:19]([H:79])([H:80])[H:81])([C:20]([H:82])([H:83])[H:84])[C@:21]([O:22][H:85])([H:86])[C:23]([H:87])([H:88])[C:24]([H:89])([H:90])[C@@:25]45[C:26]([H:91])([H:92])[C@@:27]35[C:28]([H:93])([H:94])[C:29]([H:95])([H:96])[C@:30]12[C:31]([H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104]>>[H]C([H])=[C:4]([C:2]([H])([C:1]([H:106])([H:107])[H:108])[C:3]([H:59])([H:60])[H:61])[C:5]([C:6]([C@@:7]([C:8]([H:62])([H:63])[H:64])([C@@:9]1([H:65])[C:10]([H:66])([H:67])[C:11]([H:68])([H:69])[C@@:12]2([C:13]([H:70])([H:71])[H:72])[C@:14]3([H:73])[C:15]([H:74])([H:75])[C:16]([H:76])([H:77])[C@:17]4([H:78])[C:18]([C:19]([H:79])([H:80])[H:81])([C:20]([H:82])([H:83])[H:84])[C@:21]([O:22][H:85])([H:86])[C:23]([H:87])([H:88])[C:24]([H:89])([H:90])[C@@:25]45[C:26]([H:91])([H:92])[C@@:27]35[C:28]([H:93])([H:94])[C:29]([H:95])([H:96])[C@:30]12[C:31]([H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104]

Derived Operators

EVODEX.1-F94 - Elemental Balance

C1
H2

EVODEX.1-M22 - Mass Difference

14.01566

EVODEX.1-E678 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4](-[#6:5])-[H]>>[#6:1]-[#6:2](-[#6:3])(-[#6:4](-[#6:5])=[#6](-[H])-[H])-[H]

EVODEX.1-C258 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:25]=[#6:26]>>[H]-[#6](-[H])=[#6:25]-[#6:26]-[H]

EVODEX.1-N277 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:25](-[#6:24])=[#6:26](-[#6:27])-[#6:28]>>[H]-[#6](-[H])=[#6:25](-[#6:24])-[#6:26](-[H])(-[#6:27])-[#6:28]

EVODEX.1-Em402 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:25](-[#6:24])=[#6:26](-[#6:27])-[#6:28]>>[H]-[#6](-[H])=[#6:25](-[#6:24])-[#6:26](-[H])(-[#6:27])-[#6:28]

EVODEX.1-Cm230 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:25]=[#6:26]>>[#6]=[#6:25]-[#6:26]-[H]

EVODEX.1-Nm362 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:25](-[#6:24])=[#6:26](-[#6:27])-[#6:28]>>[H]-[#6](-[H])=[#6:25](-[#6:24])-[#6:26](-[H])(-[#6:27])-[#6:28]

Source Full Reactions

EVODEX.1-R1308

Full Reaction Rendering

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