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EVODEX.1-P1263

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:23][C:22]1:[C:3]([O:2][C:1]([H:60])([H:61])[H:62]):[C:4]([H:51]):[C:5]([C:6]2:[O:7]:[C:8]3:[C:9]([H:52]):[C:10]([O:11][H:53]):[C:12]([H:54]):[C:13]([O:14][H:55]):[C:15]:3:[C:16](=[O:17]):[C:18]:2[O:19][H:56]):[C:20]([H:57]):[C:21]:1[H:58]>>[H]C([H])([H])[O:23][C:22]1:[C:3]([O:2][C:1]([H:60])([H:61])[H:62]):[C:4]([H:51]):[C:5]([C:6]2:[O:7]:[C:8]3:[C:9]([H:52]):[C:10]([O:11][H:53]):[C:12]([H:54]):[C:13]([O:14][H:55]):[C:15]:3:[C:16](=[O:17]):[C:18]:2[O:19][H:56]):[C:20]([H:57]):[C:21]:1[H:58]

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-R1366

Full Reaction Rendering

[H][O:23][C:22]1:[C:3]([O:2][C:1]([H:60])([H:61])[H:62]):[C:4]([H:51]):[C:5]([C:6]2:[O:7]:[C:8]3:[C:9]([H:52]):[C:10]([O:11][H:53]):[C:12]([H:54]):[C:13]([O:14][H:55]):[C:15]:3:[C:16](=[O:17]):[C:18]:2[O:19][H:56]):[C:20]([H:57]):[C:21]:1[H:58].[C:24]([S+:25]([C:26]([C:27]([C@:28]([N:29]([H:63])[H:64])([C:30](=[O:31])[O:32][H:65])[H:66])([H:67])[H:68])([H:69])[H:70])[C:33]([C@@:34]1([H:71])[O:35][C@:36]([N:37]2:[C:38]([H:72]):[N:39]:[C:40]3:[C:41]([N:42]([H:73])[H:74]):[N:43]:[C:44]([H:75]):[N:45]:[C:46]:2:3)([H:76])[C@@:47]([O:48][H:77])([H:78])[C@@:49]1([O:50][H:79])[H:80])([H:81])[H:82])([H:83])([H:84])[H:85]>>[C:1]([O:2][C:3]1:[C:4]([H:51]):[C:5]([C:6]2:[O:7]:[C:8]3:[C:9]([H:52]):[C:10]([O:11][H:53]):[C:12]([H:54]):[C:13]([O:14][H:55]):[C:15]:3:[C:16](=[O:17]):[C:18]:2[O:19][H:56]):[C:20]([H:57]):[C:21]([H:58]):[C:22]:1[O:23][C:24]([H:83])([H:84])[H:85])([H:60])([H:61])[H:62].[HH].[S:25]([C:26]([C:27]([C@:28]([N:29]([H:63])[H:64])([C:30](=[O:31])[O:32][H:65])[H:66])([H:67])[H:68])([H:69])[H:70])[C:33]([C@@:34]1([H:71])[O:35][C@:36]([N:37]2:[C:38]([H:72]):[N:39]:[C:40]3:[C:41]([N:42]([H:73])[H:74]):[N:43]:[C:44]([H:75]):[N:45]:[C:46]:2:3)([H:76])[C@@:47]([O:48][H:77])([H:78])[C@@:49]1([O:50][H:79])[H:80])([H:81])[H:82]