EVODEX Logo

EVODEX.1-P1280

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][S:2][C:1]([H:31])([H:32])[H:33]>>[H]C([H])([H])[S:2][C:1]([H:31])([H:32])[H:33]

Derived Operators

EVODEX.1-F94 - Elemental Balance

C1
H2

EVODEX.1-M22 - Mass Difference

14.01566

EVODEX.1-E674 - Reaction Operator E

Reaction Operator E SMIRKS

[#16:28](-[#6:29])-[H]>>[#6](-[#16:28]-[#6:29])(-[H])(-[H])-[H]

EVODEX.1-C108 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:2]>>[H]-[#6](-[H])(-[H])-[#16:2]

EVODEX.1-N280 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#16:35]-[#6:34]>>[H]-[#6](-[H])(-[H])-[#16:35]-[#6:34]

EVODEX.1-Em405 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#16:35]-[#6:34]>>[H]-[#6](-[H])(-[H])-[#16:35]-[#6:34]

EVODEX.1-Cm27 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#16:13]>>[#6]-[#16:13]

EVODEX.1-Nm365 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#16:35]-[#6:34]>>[H]-[#6](-[H])(-[H])-[#16:35]-[#6:34]

Source Full Reactions

EVODEX.1-R1592

Full Reaction Rendering

[H][S:2][C:1]([H:31])([H:32])[H:33].[C:3]([S+:4]([C:5]([C:6]([C@:7]([N:8]([H:34])[H:35])([C:9](=[O:10])[O:11][H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[C:12]([C@@:13]1([H:42])[O:14][C@:15]([N:16]2:[C:17]([H:43]):[N:18]:[C:19]3:[C:20]([N:21]([H:44])[H:45]):[N:22]:[C:23]([H:46]):[N:24]:[C:25]:2:3)([H:47])[C@@:26]([O:27][H:48])([H:49])[C@@:28]1([O:29][H:50])[H:51])([H:52])[H:53])([H:54])([H:55])[H:56]>>[C:1]([S:2][C:3]([H:54])([H:55])[H:56])([H:31])([H:32])[H:33].[HH].[S:4]([C:5]([C:6]([C@:7]([N:8]([H:34])[H:35])([C:9](=[O:10])[O:11][H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[C:12]([C@@:13]1([H:42])[O:14][C@:15]([N:16]2:[C:17]([H:43]):[N:18]:[C:19]3:[C:20]([N:21]([H:44])[H:45]):[N:22]:[C:23]([H:46]):[N:24]:[C:25]:2:3)([H:47])[C@@:26]([O:27][H:48])([H:49])[C@@:28]1([O:29][H:50])[H:51])([H:52])[H:53]