EVODEX Logo

EVODEX.1-P4090

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([S:4][C:5]([C:6]([N+:7]([C:8]([H:12])([H:13])[H:14])([C:9]([H:15])([H:16])[H:17])[C:10]([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]O[C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26].[H][S:4][C:5]([C:6]([N+:7]([C:8]([H:12])([H:13])[H:14])([C:9]([H:15])([H:16])[H:17])[C:10]([H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E351 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#16:4]-[#6:5](-[#6@:6])(-[H:16])-[H:17]>>[#6:5](-[#6@:6])(-[#8]-[H])(-[H:16])-[H:17].[#6:3]-[#16:4]-[H]

EVODEX.1-C85 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:4]-[#16:6]>>[H]-[#8]-[#6:4].[H]-[#16:6]

EVODEX.1-N1240 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:9]-[#6:10](-[#16:11]-[#6:12])(-[H:48])-[H:49]>>[H]-[#8]-[#6:10](-[#6:9])(-[H:48])-[H:49].[H]-[#16:11]-[#6:12]

EVODEX.1-Em585 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:9]-[#6:10]-[#16:11]-[#6:12]>>[H]-[#8]-[#6:10]-[#6:9].[H]-[#16:11]-[#6:12]

EVODEX.1-Cm12 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:4]-[#16:6]>>[#8]-[#6:4].[H]-[#16:6]

EVODEX.1-Nm525 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:9]-[#6:10]-[#16:11]-[#6:12]>>[H]-[#8]-[#6:10]-[#6:9].[H]-[#16:11]-[#6:12]

Source Full Reactions

EVODEX.1-R4933

Full Reaction Rendering

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