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EVODEX.1-P912

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:60]):[C:5]([H:61]):[C:6]([C:7]([C:8](=[O:9])[C:10](=[O:11])[O:12][H:62])([H:63])[H:64]):[C:13]([H:65]):[C:14]:1[H:66])([H:67])([H:68])[H:69]>>[H]N([H])[C@@:8]([H])([C:7]([C:6]1:[C:5]([H:61]):[C:4]([H:60]):[C:3]([O:2][C:1]([H:67])([H:68])[H:69]):[C:14]([H:66]):[C:13]:1[H:65])([H:63])[H:64])[C:10](=[O:11])[O:12][H:62].[H][O:9][H]

Derived Operators

EVODEX.1-F190 - Elemental Balance

N1
H5

EVODEX.1-M70 - Mass Difference

19.04225

EVODEX.1-C58 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N36 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6@:5](-[H])(-[#6:3])-[#6:7].[H]-[#8:6]-[H]

EVODEX.1-Em329 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3]=[#8:2])-[#6:7].[H]-[#8:6]-[H]

EVODEX.1-Cm95 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:2]=[#6:3]>>[#7]-[#6:3]-[H].[H]-[#8:2]-[H]

EVODEX.1-Nm108 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3])-[#6:7].[H]-[#8:6]-[H]

Source Full Reactions

EVODEX.1-R886

Full Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:60]):[C:5]([H:61]):[C:6]([C:7]([C:8](=[O:9])[C:10](=[O:11])[O:12][H:62])([H:63])[H:64]):[C:13]([H:65]):[C:14]:1[H:66])([H:67])([H:68])[H:69].[HH].[H][C:59]1([H:95])[C:19]([C:17]([N:16]([H:97])[H:98])=[O:18])=[C:20]([H:70])[N:21]([C@:22]2([H:71])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:72])[O:30][P:31](=[O:32])([O:33][H:73])[O:34][C:35]([C@@:36]3([H:74])[O:37][C@:38]([N:39]4:[C:40]([H:75]):[N:41]:[C:42]5:[C:43]([N:44]([H:76])[H:77]):[N:45]:[C:46]([H:78]):[N:47]:[C:48]:4:5)([H:79])[C@@:49]([O:50][H:80])([H:81])[C@@:51]3([O:52][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[C@:53]([O:54][H:89])([H:90])[C@:55]2([O:56][H:91])[H:92])[C:57]([H:93])=[C:58]1[H:94].[H][N:15]([H:99])[H:100]>>[H][C@:8]([C:7]([C:6]1:[C:5]([H:61]):[C:4]([H:60]):[C:3]([O:2][C:1]([H:67])([H:68])[H:69]):[C:14]([H:66]):[C:13]:1[H:65])([H:63])[H:64])([C:10](=[O:11])[O:12][H:62])[N:15]([H:99])[H:100].[N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:70]):[N+:21]([C@:22]2([H:71])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:72])[O:30][P:31](=[O:32])([O:33][H:73])[O:34][C:35]([C@@:36]3([H:74])[O:37][C@:38]([N:39]4:[C:40]([H:75]):[N:41]:[C:42]5:[C:43]([N:44]([H:76])[H:77]):[N:45]:[C:46]([H:78]):[N:47]:[C:48]:4:5)([H:79])[C@@:49]([O:50][H:80])([H:81])[C@@:51]3([O:52][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[C@:53]([O:54][H:89])([H:90])[C@:55]2([O:56][H:91])[H:92]):[C:57]([H:93]):[C:58]([H:94]):[C:59]:1[H:95])([H:97])[H:98].[H][O:9][H]