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EVODEX.1-P1202

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]O[N:46]([C:47]1:[C:48]([H:82]):[C:49]([H:83]):[C:50]([H:84]):[C:51]([H:85]):[C:52]:1[H:86])[H:87]>>[H][N:46]([C:47]1:[C:48]([H:82]):[C:49]([H:83]):[C:50]([H:84]):[C:51]([H:85]):[C:52]:1[H:86])[H:87]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E431 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:56]-[#7:57](-[#8]-[H])-[H:94]>>[#6:56]-[#7:57](-[H:94])-[H]

EVODEX.1-C250 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#7:2]>>[H]-[#7:2]

EVODEX.1-N265 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#7:2](-[#6:1])-[H:49]>>[H]-[#7:2](-[#6:1])-[H:49]

EVODEX.1-Em386 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8]-[#7:2]-[#6:1]>>[H]-[#7:2]-[#6:1]

EVODEX.1-Cm225 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]-[#7:2]>>[H]-[#7:2]

EVODEX.1-Nm346 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8]-[#7:2]-[#6:1]>>[H]-[#7:2]-[#6:1]

Source Full Reactions

EVODEX.1-R1126

Full Reaction Rendering

[HH].[H][C:44]1([H:78])[C:4]([C:2]([N:1]([H:80])[H:81])=[O:3])=[C:5]([H:53])[N:6]([C@:7]2([H:54])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:55])[O:15][P:16](=[O:17])([O:18][H:56])[O:19][C:20]([C@@:21]3([H:57])[O:22][C@:23]([N:24]4:[C:25]([H:58]):[N:26]:[C:27]5:[C:28]([N:29]([H:59])[H:60]):[N:30]:[C:31]([H:61]):[N:32]:[C:33]:4:5)([H:62])[C@@:34]([O:35][H:63])([H:64])[C@@:36]3([O:37][H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[C@:38]([O:39][H:72])([H:73])[C@:40]2([O:41][H:74])[H:75])[C:42]([H:76])=[C:43]1[H:77].[O:45]([N:46]([C:47]1:[C:48]([H:82]):[C:49]([H:83]):[C:50]([H:84]):[C:51]([H:85]):[C:52]:1[H:86])[H:87])[H:88]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:53]):[N+:6]([C@:7]2([H:54])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:55])[O:15][P:16](=[O:17])([O:18][H:56])[O:19][C:20]([C@@:21]3([H:57])[O:22][C@:23]([N:24]4:[C:25]([H:58]):[N:26]:[C:27]5:[C:28]([N:29]([H:59])[H:60]):[N:30]:[C:31]([H:61]):[N:32]:[C:33]:4:5)([H:62])[C@@:34]([O:35][H:63])([H:64])[C@@:36]3([O:37][H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[C@:38]([O:39][H:72])([H:73])[C@:40]2([O:41][H:74])[H:75]):[C:42]([H:76]):[C:43]([H:77]):[C:44]:1[H:78])([H:80])[H:81].[H][N:46]([C:47]1:[C:48]([H:82]):[C:49]([H:83]):[C:50]([H:84]):[C:51]([H:85]):[C:52]:1[H:86])[H:87].[H][O:45][H:88]