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EVODEX.1-P1234

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:9]1[C@:8]([C:7]([C:6]2:[C:5]([H:52]):[C:4]([H:51]):[C:3]([O:2][C:1]([H:69])([H:70])[H:71]):[C:22]([O:23][H:68]):[C:21]:2[H:67])([H:65])[H:66])([H:53])[C:20]2:[C:12](:[C:13]([H:59]):[C:14]([O:15][C:16]([H:60])([H:61])[H:62]):[C:17]([O:18][H:63]):[C:19]:2[H:64])[C:11]([H:57])([H:58])[C:10]1([H:55])[H:56]>>[H]C([H])([H])[N:9]1[C@:8]([C:7]([C:6]2:[C:5]([H:52]):[C:4]([H:51]):[C:3]([O:2][C:1]([H:69])([H:70])[H:71]):[C:22]([O:23][H:68]):[C:21]:2[H:67])([H:65])[H:66])([H:53])[C:20]2:[C:12](:[C:13]([H:59]):[C:14]([O:15][C:16]([H:60])([H:61])[H:62]):[C:17]([O:18][H:63]):[C:19]:2[H:64])[C:11]([H:57])([H:58])[C:10]1([H:55])[H:56]

Derived Operators

EVODEX.1-F94 - Elemental Balance

C1
H2

EVODEX.1-M22 - Mass Difference

14.01566

EVODEX.1-E676 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:18]-[#7:19](-[H])-[#6@@:20]>>[#6:18]-[#7:19](-[#6](-[H])(-[H])-[H])-[#6@@:20]

EVODEX.1-C157 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:6]>>[H]-[#6](-[H])(-[H])-[#7:6]

EVODEX.1-N273 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:6](-[#6:1])-[#6:5]>>[H]-[#6](-[H])(-[H])-[#7:6](-[#6:1])-[#6:5]

EVODEX.1-Em398 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:6](-[#6:1])-[#6:5]>>[H]-[#6](-[H])(-[H])-[#7:6](-[#6:1])-[#6:5]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm358 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:6](-[#6:1])-[#6:5]>>[H]-[#6](-[H])(-[H])-[#7:6](-[#6:1])-[#6:5]

Source Full Reactions

EVODEX.1-R1245

Full Reaction Rendering

[H][N:9]1[C@:8]([C:7]([C:6]2:[C:5]([H:52]):[C:4]([H:51]):[C:3]([O:2][C:1]([H:69])([H:70])[H:71]):[C:22]([O:23][H:68]):[C:21]:2[H:67])([H:65])[H:66])([H:53])[C:20]2:[C:12](:[C:13]([H:59]):[C:14]([O:15][C:16]([H:60])([H:61])[H:62]):[C:17]([O:18][H:63]):[C:19]:2[H:64])[C:11]([H:57])([H:58])[C:10]1([H:55])[H:56].[C:24]([S+:25]([C:26]([C:27]([C@:28]([N:29]([H:72])[H:73])([C:30](=[O:31])[O:32][H:74])[H:75])([H:76])[H:77])([H:78])[H:79])[C:33]([C@@:34]1([H:80])[O:35][C@:36]([N:37]2:[C:38]([H:81]):[N:39]:[C:40]3:[C:41]([N:42]([H:82])[H:83]):[N:43]:[C:44]([H:84]):[N:45]:[C:46]:2:3)([H:85])[C@@:47]([O:48][H:86])([H:87])[C@@:49]1([O:50][H:88])[H:89])([H:90])[H:91])([H:92])([H:93])[H:94]>>[C:1]([O:2][C:3]1:[C:4]([H:51]):[C:5]([H:52]):[C:6]([C:7]([C@:8]2([H:53])[N:9]([C:24]([H:92])([H:93])[H:94])[C:10]([H:55])([H:56])[C:11]([H:57])([H:58])[C:12]3:[C:13]([H:59]):[C:14]([O:15][C:16]([H:60])([H:61])[H:62]):[C:17]([O:18][H:63]):[C:19]([H:64]):[C:20]:32)([H:65])[H:66]):[C:21]([H:67]):[C:22]:1[O:23][H:68])([H:69])([H:70])[H:71].[HH].[S:25]([C:26]([C:27]([C@:28]([N:29]([H:72])[H:73])([C:30](=[O:31])[O:32][H:74])[H:75])([H:76])[H:77])([H:78])[H:79])[C:33]([C@@:34]1([H:80])[O:35][C@:36]([N:37]2:[C:38]([H:81]):[N:39]:[C:40]3:[C:41]([N:42]([H:82])[H:83]):[N:43]:[C:44]([H:84]):[N:45]:[C:46]:2:3)([H:85])[C@@:47]([O:48][H:86])([H:87])[C@@:49]1([O:50][H:88])[H:89])([H:90])[H:91]