EVODEX.1-P4061

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E209 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:14]-[#8:15]-[#6:16](=[#8:17])-[#6@:18].[#6:12]-[#7:13](-[H:42])-[H]>>[#6:14]-[#8:15]-[H].[#6:12]-[#7:13](-[#6:16](=[#8:17])-[#6@:18])-[H:42]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N85 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12](-[#6@@:13])-[H:43]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12](-[#6@@:13])-[H:43].[H]-[#8:2]-[#6:1]

EVODEX.1-Em118 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm152 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R4904

Full Reaction Rendering

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