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EVODEX.1-P1586

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:8]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:86])([H:87])[H:88])([H:84])[H:85])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:7])([C:9](=[O:10])[S:11][C:12]([C:13]([N:14]([C:15]([C:16]([H:68])([H:69])[H:70])=[O:17])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76]>>[H]C([H])([H])[C:8]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:86])([H:87])[H:88])([H:84])[H:85])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:7])([C:9](=[O:10])[S:11][C:12]([C:13]([N:14]([C:15]([C:16]([H:68])([H:69])[H:70])=[O:17])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76]

Derived Operators

EVODEX.1-F94 - Elemental Balance

C1
H2

EVODEX.1-M22 - Mass Difference

14.01566

EVODEX.1-E677 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:60]-[#6:61](-[#6:62])(-[H:109])-[H]>>[#6](-[#6@@:61](-[#6:60])(-[#6:62])-[H:109])(-[H])(-[H])-[H]

EVODEX.1-C110 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:51]>>[H]-[#6](-[H])(-[H])-[#6@:51]

EVODEX.1-N346 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:51](-[#6:49])(-[#6:52])-[H:89]>>[H]-[#6](-[H])(-[H])-[#6@:51](-[#6:49])(-[#6:52])-[H:89]

EVODEX.1-Em443 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:51](-[#6:49])-[#6:52]>>[H]-[#6](-[H])(-[H])-[#6:51](-[#6:49])-[#6:52]

EVODEX.1-Cm51 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm396 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:51](-[#6:49])-[#6:52]>>[H]-[#6](-[H])(-[H])-[#6:51](-[#6:49])-[#6:52]

Source Full Reactions

EVODEX.1-R2103

Full Reaction Rendering

[C:18]([S+:19]([C:20]([C:21]([C@:22]([N:23]([H:45])[H:46])([C:24](=[O:25])[O:26][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[C:27]([C@@:28]1([H:53])[O:29][C@:30]([N:31]2:[C:32]([H:54]):[N:33]:[C:34]3:[C:35]([N:36]([H:55])[H:56]):[N:37]:[C:38]([H:57]):[N:39]:[C:40]:2:3)([H:58])[C@@:41]([O:42][H:59])([H:60])[C@@:43]1([O:44][H:61])[H:62])([H:63])[H:64])([H:65])([H:66])[H:67].[H][C:8]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:86])([H:87])[H:88])([H:84])[H:85])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:7])([C:9](=[O:10])[S:11][C:12]([C:13]([N:14]([C:15]([C:16]([H:68])([H:69])[H:70])=[O:17])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[C:8]([C:9](=[O:10])[S:11][C:12]([C:13]([N:14]([C:15]([C:16]([H:68])([H:69])[H:70])=[O:17])[H:71])([H:72])[H:73])([H:74])[H:75])([C:18]([H:65])([H:66])[H:67])[H:76])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])([H:87])[H:88].[HH].[S:19]([C:20]([C:21]([C@:22]([N:23]([H:45])[H:46])([C:24](=[O:25])[O:26][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[C:27]([C@@:28]1([H:53])[O:29][C@:30]([N:31]2:[C:32]([H:54]):[N:33]:[C:34]3:[C:35]([N:36]([H:55])[H:56]):[N:37]:[C:38]([H:57]):[N:39]:[C:40]:2:3)([H:58])[C@@:41]([O:42][H:59])([H:60])[C@@:43]1([O:44][H:61])[H:62])([H:63])[H:64]