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EVODEX.1-P653

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:51]1:[N:50]:[C:49]2:[N:48]([H:85]):[C:47](=[O:46]):[N:56]([H:88]):[C:55]:2:[C:53](=[O:54]):[N:52]:1[H:87].[H][O:45][H:89]>>[O:45]([C:51]1:[N:50]:[C:49]2:[N:48]([H:85]):[C:47](=[O:46]):[N:56]([H:88]):[C:55]:2:[C:53](=[O:54]):[N:52]:1[H:87])[H:89]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E45 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1]#[#6:2]-[#7:3].[#8:4](-[H])-[H]>>[#7:1](-[#6:2](-[#7:3])=[#8:4])(-[H])-[H]

EVODEX.1-C71 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5].[H]-[#8:7]>>[#6:5]-[#8:7]

EVODEX.1-N203 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:1]#[#6:2]-[#7:3].[H]-[#8:4]-[H]>>[H]-[#7:1](-[H])-[#6:2](-[#7:3])=[#8:4]

EVODEX.1-Em291 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#7:1]#[#6:2]-[#7:3].[H]-[#8:4]-[H]>>[H]-[#7:1](-[H])-[#6:2](-[#7:3])=[#8:4]

EVODEX.1-Cm112 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5].[H]-[#8:7]>>[#6:5]-[#8:7]

EVODEX.1-Nm289 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#7:1]#[#6:2]-[#7:3].[H]-[#8:4]-[H]>>[H]-[#7:1](-[H])-[#6:2](-[#7:3])=[#8:4]

Source Full Reactions

EVODEX.1-R600

Full Reaction Rendering

[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:57]):[C:6]([H:58]):[C:7]([H:59]):[N+:8]([C@:9]2([H:60])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:61])[O:17][P:18](=[O:19])([O:20][H:62])[O:21][C:22]([C@@:23]3([H:63])[O:24][C@:25]([N:26]4:[C:27]([H:64]):[N:28]:[C:29]5:[C:30]([N:31]([H:65])[H:66]):[N:32]:[C:33]([H:67]):[N:34]:[C:35]:4:5)([H:68])[C@@:36]([O:37][H:69])([H:70])[C@@:38]3([O:39][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[C@:40]([O:41][H:78])([H:79])[C@:42]2([O:43][H:80])[H:81]):[C:44]:1[H:82])([H:83])[H:84].[H][C:51]1:[N:50]:[C:49]2:[N:48]([H:85]):[C:47](=[O:46]):[N:56]([H:88]):[C:55]:2:[C:53](=[O:54]):[N:52]:1[H:87].[H][O:45][H:89]>>[HH].[H][C:5]1([H:57])[C:4]([C:2]([N:1]([H:83])[H:84])=[O:3])=[C:44]([H:82])[N:8]([C@:9]2([H:60])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:61])[O:17][P:18](=[O:19])([O:20][H:62])[O:21][C:22]([C@@:23]3([H:63])[O:24][C@:25]([N:26]4:[C:27]([H:64]):[N:28]:[C:29]5:[C:30]([N:31]([H:65])[H:66]):[N:32]:[C:33]([H:67]):[N:34]:[C:35]:4:5)([H:68])[C@@:36]([O:37][H:69])([H:70])[C@@:38]3([O:39][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[C@:40]([O:41][H:78])([H:79])[C@:42]2([O:43][H:80])[H:81])[C:7]([H:59])=[C:6]1[H:58].[O:45]([C:51]1:[N:50]:[C:49]2:[N:48]([H:85]):[C:47](=[O:46]):[N:56]([H:88]):[C:55]:2:[C:53](=[O:54]):[N:52]:1[H:87])[H:89]