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EVODEX.1-P1132

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[O:7][H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][N:10]([C@@:9]([C:8]([H:68])([H:69])[H:70])([C:11](=[O:12])[O:13][H:66])[H:67])[H:64]>>[H][C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:5](=[O:6])[O:7][H:58])[N:10]([C@@:9]([C:8]([H:68])([H:69])[H:70])([C:11](=[O:12])[O:13][H:66])[H:67])[H:64].[H][O:4][H]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E33 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#6:5]=[#8:6].[#6:8]-[#6@:9](-[#7:10](-[H:64])-[H])(-[#6:11])-[H:67]>>[#6:2]-[#6:3](-[#6:5]=[#8:6])(-[#7:10](-[#6@@:9](-[#6:8])(-[#6:11])-[H:67])-[H:64])-[H].[#8:4](-[H])-[H]

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-N47 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:49](-[#6:50])-[H:105].[#6:59]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#6:61](-[#7:49](-[#6:50])-[H:105])(-[#6:59])-[#6:63].[H]-[#8:62]-[H]

EVODEX.1-Em84 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:49]-[#6:50].[#8:58]=[#6:59]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#6:61](-[#7:49]-[#6:50])(-[#6:59]=[#8:58])-[#6:63].[H]-[#8:62]-[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-Nm120 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:49]-[#6:50].[#6:59]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#6:61](-[#7:49]-[#6:50])(-[#6:59])-[#6:63].[H]-[#8:62]-[H]

Source Full Reactions

EVODEX.1-R1059

Full Reaction Rendering

[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[O:7][H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][N:10]([C@@:9]([C:8]([H:68])([H:69])[H:70])([C:11](=[O:12])[O:13][H:66])[H:67])[H:64].[HH].[H][C:57]1([H:96])[C:17]([C:15]([N:14]([H:98])[H:99])=[O:16])=[C:18]([H:71])[N:19]([C@:20]2([H:72])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:73])[O:28][P:29](=[O:30])([O:31][H:74])[O:32][C:33]([C@@:34]3([H:75])[O:35][C@:36]([N:37]4:[C:38]([H:76]):[N:39]:[C:40]5:[C:41]([N:42]([H:77])[H:78]):[N:43]:[C:44]([H:79]):[N:45]:[C:46]:4:5)([H:80])[C@@:47]([O:48][H:81])([H:82])[C@@:49]3([O:50][H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[C@:51]([O:52][H:90])([H:91])[C@:53]2([O:54][H:92])[H:93])[C:55]([H:94])=[C:56]1[H:95]>>[H][C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:5](=[O:6])[O:7][H:58])[N:10]([C@@:9]([C:8]([H:68])([H:69])[H:70])([C:11](=[O:12])[O:13][H:66])[H:67])[H:64].[N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:71]):[N+:19]([C@:20]2([H:72])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:73])[O:28][P:29](=[O:30])([O:31][H:74])[O:32][C:33]([C@@:34]3([H:75])[O:35][C@:36]([N:37]4:[C:38]([H:76]):[N:39]:[C:40]5:[C:41]([N:42]([H:77])[H:78]):[N:43]:[C:44]([H:79]):[N:45]:[C:46]:4:5)([H:80])[C@@:47]([O:48][H:81])([H:82])[C@@:49]3([O:50][H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[C@:51]([O:52][H:90])([H:91])[C@:53]2([O:54][H:92])[H:93]):[C:55]([H:94]):[C:56]([H:95]):[C:57]:1[H:96])([H:98])[H:99].[H][O:4][H]