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EVODEX.1-P642

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])[N:2]([C:3]1:[C:4]([H:58]):[C:5]([H:59]):[C:6]([C:7](=[O:8])[O:9][H:60]):[C:10]([H:61]):[C:11]:1[H:62])[H:63]>>[H][N:2]([C:3]1:[C:4]([H:58]):[C:5]([H:59]):[C:6]([C:7](=[O:8])[O:9][H:60]):[C:10]([H:61]):[C:11]:1[H:62])[H:63]

Derived Operators

EVODEX.1-F93 - Elemental Balance

C-1
H-2

EVODEX.1-M40 - Mass Difference

-14.01566

EVODEX.1-E670 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#7:2](-[#6@@:3])-[H:23])(-[H:24])(-[H:25])-[H:26]>>[#6:1](-[#7](-[H])-[H])(-[H:24])(-[H:25])-[H:26].[#7:2](-[#6@@:3])(-[H:23])-[H]

EVODEX.1-C96 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#7:12]>>[H]-[#7:12]

EVODEX.1-N201 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#7:2](-[#6@@:3])-[H:20]>>[H]-[#7:2](-[#6@@:3])-[H:20]

EVODEX.1-Em289 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6](-[H])(-[H])-[#7:2]-[#6:3]>>[H]-[#7:2]-[#6:3]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm287 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6](-[H])(-[H])-[#7:2]-[#6:3]>>[H]-[#7:2]-[#6:3]

Source Full Reactions

EVODEX.1-R589

Full Reaction Rendering

[H][C:1]([N:2]([C:3]1:[C:4]([H:58]):[C:5]([H:59]):[C:6]([C:7](=[O:8])[O:9][H:60]):[C:10]([H:61]):[C:11]:1[H:62])[H:63])([H:64])[H:65].[HH].[H][C:55]1([H:92])[C:15]([C:13]([N:12]([H:94])[H:95])=[O:14])=[C:16]([H:67])[N:17]([C@:18]2([H:68])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:69])[O:26][P:27](=[O:28])([O:29][H:70])[O:30][C:31]([C@@:32]3([H:71])[O:33][C@:34]([N:35]4:[C:36]([H:72]):[N:37]:[C:38]5:[C:39]([N:40]([H:73])[H:74]):[N:41]:[C:42]([H:75]):[N:43]:[C:44]:4:5)([H:76])[C@@:45]([O:46][H:77])([H:78])[C@@:47]3([O:48][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[C@:49]([O:50][H:86])([H:87])[C@:51]2([O:52][H:88])[H:89])[C:53]([H:90])=[C:54]1[H:91].[O:56]=[O:57]>>[C:1](=[O:57])([H:64])[H:65].[N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:67]):[N+:17]([C@:18]2([H:68])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:69])[O:26][P:27](=[O:28])([O:29][H:70])[O:30][C:31]([C@@:32]3([H:71])[O:33][C@:34]([N:35]4:[C:36]([H:72]):[N:37]:[C:38]5:[C:39]([N:40]([H:73])[H:74]):[N:41]:[C:42]([H:75]):[N:43]:[C:44]:4:5)([H:76])[C@@:45]([O:46][H:77])([H:78])[C@@:47]3([O:48][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[C@:49]([O:50][H:86])([H:87])[C@:51]2([O:52][H:88])[H:89]):[C:53]([H:90]):[C:54]([H:91]):[C:55]:1[H:92])([H:94])[H:95].[H][N:2]([C:3]1:[C:4]([H:58]):[C:5]([H:59]):[C:6]([C:7](=[O:8])[O:9][H:60]):[C:10]([H:61]):[C:11]:1[H:62])[H:63].[H][O:56][H]