EVODEX.1-P6232

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E170 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#6:10].[#6:1](#[#7:2])-[H]>>[#6:1](#[#7:2])-[#6@:8](-[#6:7])(-[#8:9]-[H])-[#6:10]

EVODEX.1-C8 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-N922 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em731 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm42 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-Nm660 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6838

Full Reaction Rendering

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