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EVODEX.1-P681

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:47](=[O:46])[C:48]([C:49](=[O:50])[O:51][H:80])([H:81])[H:82]>>[H]O[C:47](=[O:46])[C:48]([C:49](=[O:50])[O:51][H:80])([H:81])[H:82]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E406 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:2]=[#6:3](-[#6:4])-[H]>>[#8](-[#6:3](=[#8:2])-[#6:4])-[H]

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5]>>[H]-[#8]-[#6:5]

EVODEX.1-N32 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:6]

EVODEX.1-Em302 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:47](=[#8:46])-[#6:48]>>[H]-[#8]-[#6:47](=[#8:46])-[#6:48]

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5]>>[#8]-[#6:5]

EVODEX.1-Nm104 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:6]

Source Full Reactions

EVODEX.1-R637

Full Reaction Rendering

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

EVODEX.1-R636

Full Reaction Rendering

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