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EVODEX.1-P1281

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:2]([C:1]([H:75])([H:76])[H:77])[C@:3]1([H:58])[C:4](=[O:5])[C:6]([C:7]([N:8]([H:59])[H:60])=[O:9])=[C:10]([O:11][H:61])[C@@:12]2([O:13][H:62])[C:14](=[O:15])[C:16]3:[C:17](:[C:18]([C:19]([H:63])([H:64])[H:65]):[C:20]4:[C:21]([H:66]):[C:22]([H:67]):[C:23]([H:68]):[C:24]([O:25][H:69]):[C:26]:4:[C:27]:3[O:28][H:70])[C:29]([H:71])([H:72])[C@@:30]12[H:73]>>[H]C([H])([H])[N:2]([C:1]([H:75])([H:76])[H:77])[C@:3]1([H:58])[C:4](=[O:5])[C:6]([C:7]([N:8]([H:59])[H:60])=[O:9])=[C:10]([O:11][H:61])[C@@:12]2([O:13][H:62])[C:14](=[O:15])[C:16]3:[C:17](:[C:18]([C:19]([H:63])([H:64])[H:65]):[C:20]4:[C:21]([H:66]):[C:22]([H:67]):[C:23]([H:68]):[C:24]([O:25][H:69]):[C:26]:4:[C:27]:3[O:28][H:70])[C:29]([H:71])([H:72])[C@@:30]12[H:73]

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-R1594

Full Reaction Rendering

[H][N:2]([C:1]([H:75])([H:76])[H:77])[C@:3]1([H:58])[C:4](=[O:5])[C:6]([C:7]([N:8]([H:59])[H:60])=[O:9])=[C:10]([O:11][H:61])[C@@:12]2([O:13][H:62])[C:14](=[O:15])[C:16]3:[C:17](:[C:18]([C:19]([H:63])([H:64])[H:65]):[C:20]4:[C:21]([H:66]):[C:22]([H:67]):[C:23]([H:68]):[C:24]([O:25][H:69]):[C:26]:4:[C:27]:3[O:28][H:70])[C:29]([H:71])([H:72])[C@@:30]12[H:73].[C:31]([S+:32]([C:33]([C:34]([C@:35]([N:36]([H:78])[H:79])([C:37](=[O:38])[O:39][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[C:40]([C@@:41]1([H:86])[O:42][C@:43]([N:44]2:[C:45]([H:87]):[N:46]:[C:47]3:[C:48]([N:49]([H:88])[H:89]):[N:50]:[C:51]([H:90]):[N:52]:[C:53]:2:3)([H:91])[C@@:54]([O:55][H:92])([H:93])[C@@:56]1([O:57][H:94])[H:95])([H:96])[H:97])([H:98])([H:99])[H:100]>>[C:1]([N:2]([C@:3]1([H:58])[C:4](=[O:5])[C:6]([C:7]([N:8]([H:59])[H:60])=[O:9])=[C:10]([O:11][H:61])[C@@:12]2([O:13][H:62])[C:14](=[O:15])[C:16]3:[C:17](:[C:18]([C:19]([H:63])([H:64])[H:65]):[C:20]4:[C:21]([H:66]):[C:22]([H:67]):[C:23]([H:68]):[C:24]([O:25][H:69]):[C:26]:4:[C:27]:3[O:28][H:70])[C:29]([H:71])([H:72])[C@@:30]12[H:73])[C:31]([H:98])([H:99])[H:100])([H:75])([H:76])[H:77].[HH].[S:32]([C:33]([C:34]([C@:35]([N:36]([H:78])[H:79])([C:37](=[O:38])[O:39][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[C:40]([C@@:41]1([H:86])[O:42][C@:43]([N:44]2:[C:45]([H:87]):[N:46]:[C:47]3:[C:48]([N:49]([H:88])[H:89]):[N:50]:[C:51]([H:90]):[N:52]:[C:53]:2:3)([H:91])[C@@:54]([O:55][H:92])([H:93])[C@@:56]1([O:57][H:94])[H:95])([H:96])[H:97]