EVODEX.1-P5112

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E98 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](-[#7:8](-[H:11])-[H:12])=[#8:9].[#8:10](-[H:21])-[H]>>[#6:6]-[#6:7](=[#8:9])-[#8:10]-[H:21].[#7:8](-[H:11])(-[H:12])-[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-N723 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#6:9](-[#7:10](-[H:25])-[H:26])=[#8:11].[H]-[#8:24]-[H:45]>>[#6:8]-[#6:9](=[#8:11])-[#8:24]-[H:45].[H]-[#7:10](-[H:25])-[H:26]

EVODEX.1-Em643 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:9](-[#7:10])=[#8:11].[H]-[#8:24]>>[#6:8]-[#6:9](=[#8:11])-[#8:24].[H]-[#7:10]

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-Nm578 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:9](-[#7:10])=[#8:11].[H]-[#8:24]>>[#6:8]-[#6:9](=[#8:11])-[#8:24].[H]-[#7:10]

Source Full Reactions

EVODEX.1-R5883

Full Reaction Rendering

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