EVODEX Logo

EVODEX.1-P1230

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:38][C:37]1:[C:35]([O:36][H:65]):[C:34]([H:64]):[C:33]([H:63]):[C:32]([C:31](=[C:30]([C:29]([O:28][H:72])([H:70])[H:71])[H:69])[H:68]):[C:39]:1[H:67]>>[H]C([H])([H])[O:38][C:37]1:[C:35]([O:36][H:65]):[C:34]([H:64]):[C:33]([H:63]):[C:32]([C:31](=[C:30]([C:29]([O:28][H:72])([H:70])[H:71])[H:69])[H:68]):[C:39]:1[H:67]

Derived Operators

EVODEX.1-F94 - Elemental Balance

C1
H2

EVODEX.1-M22 - Mass Difference

14.01566

EVODEX.1-E480 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#8:9]-[H]>>[#6](-[#8:9]-[#6:7])(-[H])(-[H])-[H]

EVODEX.1-C865 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:29]>>[H]-[#6](-[H])(-[H])-[#8:29]

EVODEX.1-N271 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6:1](-[H:14])(-[H:15])-[H:16].[H]-[#8:12]-[#6:10]>>[#6:1](-[#8:12]-[#6:10])(-[H:14])(-[H:15])-[H:16]

EVODEX.1-Em395 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8]-[#6:1].[H]-[#8:12]-[#6:10]>>[#6:1]-[#8:12]-[#6:10]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm355 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8]-[#6:1].[H]-[#8:12]-[#6:10]>>[#6:1]-[#8:12]-[#6:10]

Source Full Reactions

EVODEX.1-R1218

Full Reaction Rendering

[C:1]([S+:2]([C:3]([C:4]([C@:5]([N:6]([H:40])[H:41])([C:7](=[O:8])[O:9][H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[C:10]([C@@:11]1([H:48])[O:12][C@:13]([N:14]2:[C:15]([H:49]):[N:16]:[C:17]3:[C:18]([N:19]([H:50])[H:51]):[N:20]:[C:21]([H:52]):[N:22]:[C:23]:2:3)([H:53])[C@@:24]([O:25][H:54])([H:55])[C@@:26]1([O:27][H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62].[H][O:38][C:37]1:[C:35]([O:36][H:65]):[C:34]([H:64]):[C:33]([H:63]):[C:32]([C:31](=[C:30]([C:29]([O:28][H:72])([H:70])[H:71])[H:69])[H:68]):[C:39]:1[H:67]>>[C:1]([O:38][C:37]1:[C:35]([O:36][H:65]):[C:34]([H:64]):[C:33]([H:63]):[C:32]([C:31](=[C:30]([C:29]([O:28][H:72])([H:70])[H:71])[H:69])[H:68]):[C:39]:1[H:67])([H:60])([H:61])[H:62].[HH].[S:2]([C:3]([C:4]([C@:5]([N:6]([H:40])[H:41])([C:7](=[O:8])[O:9][H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[C:10]([C@@:11]1([H:48])[O:12][C@:13]([N:14]2:[C:15]([H:49]):[N:16]:[C:17]3:[C:18]([N:19]([H:50])[H:51]):[N:20]:[C:21]([H:52]):[N:22]:[C:23]:2:3)([H:53])[C@@:24]([O:25][H:54])([H:55])[C@@:26]1([O:27][H:56])[H:57])([H:58])[H:59]