EVODEX.1-P2545

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F3 - Elemental Balance

H

-1

EVODEX.1-M23 - Mass Difference

-1.00783

EVODEX.1-E38 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#16:2](-[#6:3](-[#6:4])(-[H:51])-[H:52])-[#6:10].[#7:28](-[#6@@:29])(-[H:82])-[H]>>[#6:3](-[#6:4])(-[#7:28](-[#6@@:29])-[H:82])(-[H:51])-[H:52].[#6:1]-[#16:2]-[#6:10]

EVODEX.1-C11 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:2]-[#6:3].[H]-[#7:35]>>[#6:3]-[#7:35].[#16:2]

EVODEX.1-N473 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#16:2](-[#6:3](-[#6:4])(-[H:42])-[H:43])-[#6:7].[H]-[#7:35](-[#6:34])-[H:59]>>[#6:3](-[#6:4])(-[#7:35](-[#6:34])-[H:59])(-[H:42])-[H:43].[#6:1]-[#16:2]-[#6:7]

EVODEX.1-Em510 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#16:2](-[#6:3]-[#6:4])-[#6:7].[H]-[#7:35]-[#6:34]>>[#6:3](-[#6:4])-[#7:35]-[#6:34].[#6:1]-[#16:2]-[#6:7]

EVODEX.1-Cm46 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#16:2]-[#6:3].[H]-[#7:35]>>[#6:3]-[#7:35].[#16:2]

EVODEX.1-Nm461 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#16:2](-[#6:3]-[#6:4])-[#6:7].[H]-[#7:35]-[#6:34]>>[#6:3](-[#6:4])-[#7:35]-[#6:34].[#6:1]-[#16:2]-[#6:7]

Source Full Reactions

EVODEX.1-R3289

Full Reaction Rendering

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