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EVODEX.1-P464

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]1([H:57])([H:58])[C:2]([H:59])([H:60])[S:3][C:4]([H:61])([H:62])[S:5][C:6]1([H:63])[H:64].O=[O:56]>>[C:1]1([H:57])([H:58])[C:2]([H:59])([H:60])[S@@:3](=[O:56])[C:4]([H:61])([H:62])[S:5][C:6]1([H:63])[H:64]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E437 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8]=[#8:60]>>[#6:3]-[#16@@:4](-[#6:5])=[#8:60]

EVODEX.1-C197 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:4].[#8]=[#8:60]>>[#8:60]=[#16:4]

EVODEX.1-N120 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8]=[#8:60]>>[#6:3]-[#16@@:4](-[#6:5])=[#8:60]

EVODEX.1-Em199 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8]=[#8:60]>>[#6:3]-[#16:4](-[#6:5])=[#8:60]

EVODEX.1-Cm116 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]-[#16:20].[H]-[#8:32]>>[#16:20]-[#8:32]

EVODEX.1-Nm199 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8]=[#8:60]>>[#6:3]-[#16:4](-[#6:5])=[#8:60]

Source Full Reactions

EVODEX.1-R442

Full Reaction Rendering

[C:1]1([H:57])([H:58])[C:2]([H:59])([H:60])[S:3][C:4]([H:61])([H:62])[S:5][C:6]1([H:63])[H:64].[HH].[H][C:54]1([H:91])[C:10]([C:8]([N:7]([H:93])[H:94])=[O:9])=[C:11]([H:65])[N:12]([C@:13]2([H:66])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:67])[O:21][P:22](=[O:23])([O:24][H:68])[O:25][C:26]([C@@:27]3([H:69])[O:28][C@:29]([N:30]4:[C:31]([H:70]):[N:32]:[C:33]5:[C:34]([N:35]([H:71])[H:72]):[N:36]:[C:37]([H:73]):[N:38]:[C:39]:4:5)([H:74])[C@@:40]([O:41][P:42](=[O:43])([O:44][H:75])[O:45][H:76])([H:77])[C@@:46]3([O:47][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[C@:48]([O:49][H:85])([H:86])[C@:50]2([O:51][H:87])[H:88])[C:52]([H:89])=[C:53]1[H:90].[O:55]=[O:56]>>[C:1]1([H:57])([H:58])[C:2]([H:59])([H:60])[S@@:3](=[O:56])[C:4]([H:61])([H:62])[S:5][C:6]1([H:63])[H:64].[N:7]([C:8](=[O:9])[C:10]1:[C:11]([H:65]):[N+:12]([C@:13]2([H:66])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:67])[O:21][P:22](=[O:23])([O:24][H:68])[O:25][C:26]([C@@:27]3([H:69])[O:28][C@:29]([N:30]4:[C:31]([H:70]):[N:32]:[C:33]5:[C:34]([N:35]([H:71])[H:72]):[N:36]:[C:37]([H:73]):[N:38]:[C:39]:4:5)([H:74])[C@@:40]([O:41][P:42](=[O:43])([O:44][H:75])[O:45][H:76])([H:77])[C@@:46]3([O:47][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[C@:48]([O:49][H:85])([H:86])[C@:50]2([O:51][H:87])[H:88]):[C:52]([H:89]):[C:53]([H:90]):[C:54]:1[H:91])([H:93])[H:94].[H][O:55][H]