EVODEX.1-P5795

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[H:43])[H:44])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15]([N:16]([C:17](=[N:18][H:45])[N:19]([H:46])[H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]1:[C:26]([H:55]):[N:27]:[C:28]([H:56]):[N:29]:1[H:57])([H:58])[H:59])([C:30](=[O:31])[N:32]([C@@:33]([C:34]([C:35]([C:36]([N:37]([H:60])[H:61])=[O:38])([H:62])[H:63])([H:64])[H:65])([C:39](=[O:40])[O:41][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][O:42][H:81]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:78])([H:79])[H:80])([H:76])[H:77])([H:74])[H:75])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15]([N:16]([C:17](=[N:18][H:45])[N:19]([H:46])[H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]1:[C:26]([H:55]):[N:27]:[C:28]([H:56]):[N:29]:1[H:57])([H:58])[H:59])([C:30](=[O:31])[N:32]([C@@:33]([C:34]([C:35]([C:36]([N:37]([H:60])[H:61])=[O:38])([H:62])[H:63])([H:64])[H:65])([C:39](=[O:40])[O:41][H:66])[H:67])[H:68])[H:69])[H:70])[H:71])[H:72])[H:73])[H:44].[C:7](=[O:8])([O:42][H:81])[H:43]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E103 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#7:5](-[#6:6](=[#8:7])-[H:9])-[H:10].[#8:8](-[H:20])-[H]>>[#6:4]-[#7:5](-[H:10])-[H].[#6:6](=[#8:7])(-[#8:8]-[H:20])-[H:9]

EVODEX.1-C77 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#7:6]-[#6:7].[H]-[#8:56]>>[H]-[#7:6]-[#6@:5].[#6:7]-[#8:56]

EVODEX.1-N94 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5](-[#7:6](-[#6:7](=[#8:8])-[H:57])-[H:58])(-[#6:9])-[H:100].[H]-[#8:56]-[H:108]>>[H]-[#7:6](-[#6@:5](-[#6:4])(-[#6:9])-[H:100])-[H:58].[#6:7](=[#8:8])(-[#8:56]-[H:108])-[H:57]

EVODEX.1-Em130 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]-[#7:14]-[#6:15]=[#8:16].[H]-[#8:26]>>[H]-[#7:14]-[#6:6].[#6:15](=[#8:16])-[#8:26]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm164 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:6]-[#7:14]-[#6:15]=[#8:16].[H]-[#8:26]>>[H]-[#7:14]-[#6:6].[#6:15](=[#8:16])-[#8:26]

Source Full Reactions

EVODEX.1-R6488

Full Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[H:43])[H:44])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15]([N:16]([C:17](=[N:18][H:45])[N:19]([H:46])[H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]1:[C:26]([H:55]):[N:27]:[C:28]([H:56]):[N:29]:1[H:57])([H:58])[H:59])([C:30](=[O:31])[N:32]([C@@:33]([C:34]([C:35]([C:36]([N:37]([H:60])[H:61])=[O:38])([H:62])[H:63])([H:64])[H:65])([C:39](=[O:40])[O:41][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][O:42][H:81]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:78])([H:79])[H:80])([H:76])[H:77])([H:74])[H:75])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15]([N:16]([C:17](=[N:18][H:45])[N:19]([H:46])[H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]1:[C:26]([H:55]):[N:27]:[C:28]([H:56]):[N:29]:1[H:57])([H:58])[H:59])([C:30](=[O:31])[N:32]([C@@:33]([C:34]([C:35]([C:36]([N:37]([H:60])[H:61])=[O:38])([H:62])[H:63])([H:64])[H:65])([C:39](=[O:40])[O:41][H:66])[H:67])[H:68])[H:69])[H:70])[H:71])[H:72])[H:73])[H:44].[C:7](=[O:8])([O:42][H:81])[H:43]