EVODEX.1-P5463

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[N:8]([C@:9]1([H:24])[C:10](=[O:11])[N:12]2[C@:13]1([H:25])[S:14][C:15]([C:16]([H:26])([H:27])[H:28])([C:17]([H:29])([H:30])[H:31])[C@@:18]2([C:19](=[O:20])[O:21][H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][O:23][C:22]([H:47])([H:48])[H:49]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:23][C:22]([H:47])([H:48])[H:49])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][N:8]([C@:9]1([H:24])[C:10](=[O:11])[N:12]2[C@:13]1([H:25])[S:14][C:15]([C:16]([H:26])([H:27])[H:28])([C:17]([H:29])([H:30])[H:31])[C@@:18]2([C:19](=[O:20])[O:21][H:32])[H:33])[H:34]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E208 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:11]-[#8:12]-[H].[#6:2]-[#7:3](-[#6:4](=[#8:5])-[#6:6])-[H:20]>>[#6:4](=[#8:5])(-[#6:6])-[#8:12]-[#6:11].[#6:2]-[#7:3](-[H:20])-[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-N1120 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8](-[#6@:9])-[H:34].[H]-[#8:23]-[#6:22]>>[#6:5]-[#6:6](=[#8:7])-[#8:23]-[#6:22].[H]-[#7:8](-[#6@:9])-[H:34]

EVODEX.1-Em610 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:23]-[#6:22]>>[#6:5]-[#6:6](=[#8:7])-[#8:23]-[#6:22].[H]-[#7:8]-[#6:9]

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-Nm545 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:23]-[#6:22]>>[#6:5]-[#6:6](=[#8:7])-[#8:23]-[#6:22].[H]-[#7:8]-[#6:9]

Source Full Reactions

EVODEX.1-R6207

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[N:8]([C@:9]1([H:24])[C:10](=[O:11])[N:12]2[C@:13]1([H:25])[S:14][C:15]([C:16]([H:26])([H:27])[H:28])([C:17]([H:29])([H:30])[H:31])[C@@:18]2([C:19](=[O:20])[O:21][H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][O:23][C:22]([H:47])([H:48])[H:49]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:23][C:22]([H:47])([H:48])[H:49])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][N:8]([C@:9]1([H:24])[C:10](=[O:11])[N:12]2[C@:13]1([H:25])[S:14][C:15]([C:16]([H:26])([H:27])[H:28])([C:17]([H:29])([H:30])[H:31])[C@@:18]2([C:19](=[O:20])[O:21][H:32])[H:33])[H:34]