EVODEX Logo

EVODEX.1-P881

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([H:82])[H:83].[O:46]=[C:47]([O:48][H:85])[C:49](=[O:50])[C:51]([Br:52])([H:86])[H:87]>>[H][C:49]([N:1]([H:82])[H:83])([C:47](=[O:46])[O:48][H:85])[C:51]([Br:52])([H:86])[H:87].[H][O:50][H]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-C27 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:49].[#6:61]=[#8:62]>>[H]-[#6:61]-[#7:49].[H]-[#8:62]-[H]

EVODEX.1-N37 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[H:87])-[H:88].[#6:8]-[#6:9](=[#8:10])-[#6:11]>>[H]-[#6@:9](-[#7:1](-[H:87])-[H:88])(-[#6:8])-[#6:11].[H]-[#8:10]-[H]

EVODEX.1-Em330 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:1].[#6:8]-[#6:9](=[#8:10])-[#6:11]=[#8:12]>>[H]-[#6:9](-[#7:1])(-[#6:8])-[#6:11]=[#8:12].[H]-[#8:10]-[H]

EVODEX.1-Cm66 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:49].[#6:61]=[#8:62]>>[H]-[#6:61]-[#7:49].[H]-[#8:62]-[H]

EVODEX.1-Nm109 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:1].[#6:8]-[#6:9](=[#8:10])-[#6:11]>>[H]-[#6:9](-[#7:1])(-[#6:8])-[#6:11].[H]-[#8:10]-[H]

Source Full Reactions

EVODEX.1-R856

Full Reaction Rendering

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