EVODEX.1-P4837

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E190 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#7:5](-[#7:6])-[H:10].[#8:7](-[H:16])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8:7]-[H:16].[#7:5](-[#7:6])(-[H:10])-[H]

EVODEX.1-C12 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N698 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#7:5])-[H:9].[H]-[#8:6]-[H:13]>>[#6:1]-[#6:2](=[#8:3])-[#8:6]-[H:13].[H]-[#7:4](-[#7:5])-[H:9]

EVODEX.1-Em639 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4]-[#7:5].[H]-[#8:6]>>[#6:1]-[#6:2](=[#8:3])-[#8:6].[H]-[#7:4]-[#7:5]

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-Nm574 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4]-[#7:5].[H]-[#8:6]>>[#6:1]-[#6:2](=[#8:3])-[#8:6].[H]-[#7:4]-[#7:5]

Source Full Reactions

EVODEX.1-R5635

Full Reaction Rendering

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