EVODEX.1-P859

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E223 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:49](=[#8:50])-[#6:51](-[#6:52](-[#6:53])(-[H:91])-[H])(-[H:93])-[H].[#8:62]=[#8:63]>>[#6:49](=[#8:50])-[#6:51](=[#6:52](-[#6:53])-[H:91])-[H:93].[#8:62](-[#8:63]-[H])-[H]

EVODEX.1-C102 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:51]-[#6:52]-[H].[#8:62]=[#8:63]>>[#6:51]=[#6:52].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-N224 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:51](-[#6:49])(-[#6:52](-[H])(-[#6:53])-[H:91])-[H:93].[#8:62]=[#8:63]>>[#6:49]-[#6:51](=[#6:52](-[#6:53])-[H:91])-[H:93].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-Em324 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:51](-[#6:49]=[#8:50])-[#6:52](-[H])-[#6:53].[#8:62]=[#8:63]>>[#6:49](=[#8:50])-[#6:51]=[#6:52]-[#6:53].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-Cm127 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:51]-[#6:52]-[H].[#8:62]=[#8:63]>>[#6:51]=[#6:52].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-Nm308 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:51](-[#6:49])-[#6:52](-[H])-[#6:53].[#8:62]=[#8:63]>>[#6:49]-[#6:51]=[#6:52]-[#6:53].[H]-[#8:62]-[#8:63]-[H]

Source Full Reactions

EVODEX.1-R827

Full Reaction Rendering

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