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EVODEX.1-P1262

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:43][C:42]1:[C:41]([H:77]):[C:40]2:[O:39]:[C:38]([H:76]):[C:30]([C:31]3:[C:32]([H:71]):[C:33]([H:72]):[C:34]([O:35][H:73]):[C:36]([H:74]):[C:37]:3[H:75]):[C:29](=[O:28]):[C:47]:2:[C:45]([O:46][H:80]):[C:44]:1[H:79]>>[H]C([H])([H])[O:43][C:42]1:[C:41]([H:77]):[C:40]2:[O:39]:[C:38]([H:76]):[C:30]([C:31]3:[C:32]([H:71]):[C:33]([H:72]):[C:34]([O:35][H:73]):[C:36]([H:74]):[C:37]:3[H:75]):[C:29](=[O:28]):[C:47]:2:[C:45]([O:46][H:80]):[C:44]:1[H:79]

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-R1354

Full Reaction Rendering

[C:1]([S+:2]([C:3]([C:4]([C@:5]([N:6]([H:48])[H:49])([C:7](=[O:8])[O:9][H:50])[H:51])([H:52])[H:53])([H:54])[H:55])[C:10]([C@@:11]1([H:56])[O:12][C@:13]([N:14]2:[C:15]([H:57]):[N:16]:[C:17]3:[C:18]([N:19]([H:58])[H:59]):[N:20]:[C:21]([H:60]):[N:22]:[C:23]:2:3)([H:61])[C@@:24]([O:25][H:62])([H:63])[C@@:26]1([O:27][H:64])[H:65])([H:66])[H:67])([H:68])([H:69])[H:70].[H][O:43][C:42]1:[C:41]([H:77]):[C:40]2:[O:39]:[C:38]([H:76]):[C:30]([C:31]3:[C:32]([H:71]):[C:33]([H:72]):[C:34]([O:35][H:73]):[C:36]([H:74]):[C:37]:3[H:75]):[C:29](=[O:28]):[C:47]:2:[C:45]([O:46][H:80]):[C:44]:1[H:79]>>[C:1]([O:43][C:42]1:[C:41]([H:77]):[C:40]2:[O:39]:[C:38]([H:76]):[C:30]([C:31]3:[C:32]([H:71]):[C:33]([H:72]):[C:34]([O:35][H:73]):[C:36]([H:74]):[C:37]:3[H:75]):[C:29](=[O:28]):[C:47]:2:[C:45]([O:46][H:80]):[C:44]:1[H:79])([H:68])([H:69])[H:70].[HH].[S:2]([C:3]([C:4]([C@:5]([N:6]([H:48])[H:49])([C:7](=[O:8])[O:9][H:50])[H:51])([H:52])[H:53])([H:54])[H:55])[C:10]([C@@:11]1([H:56])[O:12][C@:13]([N:14]2:[C:15]([H:57]):[N:16]:[C:17]3:[C:18]([N:19]([H:58])[H:59]):[N:20]:[C:21]([H:60]):[N:22]:[C:23]:2:3)([H:61])[C@@:24]([O:25][H:62])([H:63])[C@@:26]1([O:27][H:64])[H:65])([H:66])[H:67]