EVODEX.1-P3062

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E220 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#6@@:2](-[#6:3])(-[#6:7])-[H:103])(-[H:104])(-[H:105])-[H:106].[#6:60]-[#6:61](-[#6:62])(-[H:109])-[H]>>[#6:2](-[#6:3])(-[#6:7])(-[H:103])-[H].[#6:1](-[#6@@:61](-[#6:60])(-[#6:62])-[H:109])(-[H:104])(-[H:105])-[H:106]

EVODEX.1-C20 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:1]-[#6@@:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6@@:61]

EVODEX.1-N560 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1](-[#6@@:2](-[#6:3])(-[#6:7])-[H:103])(-[H:104])(-[H:105])-[H:106].[H]-[#6:61](-[#6:60])(-[#6:62])-[H:109]>>[H]-[#6:2](-[#6:3])(-[#6:7])-[H:103].[#6:1](-[#6@@:61](-[#6:60])(-[#6:62])-[H:109])(-[H:104])(-[H:105])-[H:106]

EVODEX.1-Em550 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](-[#6:3])-[#6:7].[H]-[#6:61](-[#6:60])-[#6:62]>>[H]-[#6:2](-[#6:3])-[#6:7].[#6:1]-[#6:61](-[#6:60])-[#6:62]

EVODEX.1-Cm57 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:1]-[#6:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6:61]

EVODEX.1-Nm497 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](-[#6:3])-[#6:7].[H]-[#6:61](-[#6:60])-[#6:62]>>[H]-[#6:2](-[#6:3])-[#6:7].[#6:1]-[#6:61](-[#6:60])-[#6:62]

Source Full Reactions

EVODEX.1-R3720

Full Reaction Rendering

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