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EVODEX.1-P1296

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][S:32][C:31]1:[N:30]:[C:29](=[N:28][H:83]):[N:47]([H:82]):[C:46]2:[C:33]:1:[N:34]:[C:35]([H:72]):[N:36]:2[C@:37]1([H:73])[O:38][C@@:39]([C:40]([O:41][H:74])([H:75])[H:76])([H:77])[C@:42]([O:43][H:78])([H:79])[C@:44]1([O:45][H:80])[H:81]>>[H]C([H])([H])[S:32][C:31]1:[N:30]:[C:29](=[N:28][H:83]):[N:47]([H:82]):[C:46]2:[C:33]:1:[N:34]:[C:35]([H:72]):[N:36]:2[C@:37]1([H:73])[O:38][C@@:39]([C:40]([O:41][H:74])([H:75])[H:76])([H:77])[C@:42]([O:43][H:78])([H:79])[C@:44]1([O:45][H:80])[H:81]

Derived Operators

EVODEX.1-F94 - Elemental Balance

C1
H2

EVODEX.1-M22 - Mass Difference

14.01566

EVODEX.1-E674 - Reaction Operator E

Reaction Operator E SMIRKS

[#16:28](-[#6:29])-[H]>>[#6](-[#16:28]-[#6:29])(-[H])(-[H])-[H]

EVODEX.1-C108 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:2]>>[H]-[#6](-[H])(-[H])-[#16:2]

EVODEX.1-N280 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#16:35]-[#6:34]>>[H]-[#6](-[H])(-[H])-[#16:35]-[#6:34]

EVODEX.1-Em405 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#16:35]-[#6:34]>>[H]-[#6](-[H])(-[H])-[#16:35]-[#6:34]

EVODEX.1-Cm27 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#16:13]>>[#6]-[#16:13]

EVODEX.1-Nm365 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#16:35]-[#6:34]>>[H]-[#6](-[H])(-[H])-[#16:35]-[#6:34]

Source Full Reactions

EVODEX.1-R1710

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][S:32][C:31]1:[N:30]:[C:29](=[N:28][H:83]):[N:47]([H:82]):[C:46]2:[C:33]:1:[N:34]:[C:35]([H:72]):[N:36]:2[C@:37]1([H:73])[O:38][C@@:39]([C:40]([O:41][H:74])([H:75])[H:76])([H:77])[C@:42]([O:43][H:78])([H:79])[C@:44]1([O:45][H:80])[H:81]>>[C:1]([S:32][C:31]1:[N:30]:[C:29](=[N:28][H:83]):[N:47]([H:82]):[C:46]2:[C:33]:1:[N:34]:[C:35]([H:72]):[N:36]:2[C@:37]1([H:73])[O:38][C@@:39]([C:40]([O:41][H:74])([H:75])[H:76])([H:77])[C@:42]([O:43][H:78])([H:79])[C@:44]1([O:45][H:80])[H:81])([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]