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EVODEX.1-P703

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:47](=[O:46])[C:48]1:[C:49]([H:90]):[C:50]2:[C:51]([H:91]):[C:52]([H:92]):[C:53]([H:93]):[C:54]([H:94]):[C:55]:2:[C:56]2:[C:57]([H:95]):[C:58]([H:96]):[C:59]([H:97]):[C:60]([H:98]):[C:61]:1:2>>[H]O[C:47](=[O:46])[C:48]1:[C:49]([H:90]):[C:50]2:[C:51]([H:91]):[C:52]([H:92]):[C:53]([H:93]):[C:54]([H:94]):[C:55]:2:[C:56]2:[C:57]([H:95]):[C:58]([H:96]):[C:59]([H:97]):[C:60]([H:98]):[C:61]:1:2

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E406 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N32 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:6]

EVODEX.1-Em302 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:47](=[#8:46])-[#6:48]>>[H]-[#8]-[#6:47](=[#8:46])-[#6:48]

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm104 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:6]

Source Full Reactions

EVODEX.1-R736

Full Reaction Rendering

[O:18]=[O:19].[H][C:3](=[O:2])[C:4]1:[C:5]([H:20]):[C:6]2:[C:7]([H:21]):[C:8]([H:22]):[C:9]([H:23]):[C:10]([H:24]):[C:11]:2:[C:12]2:[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]([H:28]):[C:17]:1:2.[H][O:1][H:30]>>[H][O:18][O:19][H].[O:1]([C:3](=[O:2])[C:4]1:[C:5]([H:20]):[C:6]2:[C:7]([H:21]):[C:8]([H:22]):[C:9]([H:23]):[C:10]([H:24]):[C:11]:2:[C:12]2:[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]([H:28]):[C:17]:1:2)[H:30]

EVODEX.1-R658

Full Reaction Rendering

[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:62]):[C:6]([H:63]):[C:7]([H:64]):[N+:8]([C@:9]2([H:65])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:66])[O:17][P:18](=[O:19])([O:20][H:67])[O:21][C:22]([C@@:23]3([H:68])[O:24][C@:25]([N:26]4:[C:27]([H:69]):[N:28]:[C:29]5:[C:30]([N:31]([H:70])[H:71]):[N:32]:[C:33]([H:72]):[N:34]:[C:35]:4:5)([H:73])[C@@:36]([O:37][H:74])([H:75])[C@@:38]3([O:39][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[C@:40]([O:41][H:83])([H:84])[C@:42]2([O:43][H:85])[H:86]):[C:44]:1[H:87])([H:88])[H:89].[H][C:47](=[O:46])[C:48]1:[C:49]([H:90]):[C:50]2:[C:51]([H:91]):[C:52]([H:92]):[C:53]([H:93]):[C:54]([H:94]):[C:55]:2:[C:56]2:[C:57]([H:95]):[C:58]([H:96]):[C:59]([H:97]):[C:60]([H:98]):[C:61]:1:2.[H][O:45][H:100]>>[HH].[H][C:5]1([H:62])[C:4]([C:2]([N:1]([H:88])[H:89])=[O:3])=[C:44]([H:87])[N:8]([C@:9]2([H:65])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:66])[O:17][P:18](=[O:19])([O:20][H:67])[O:21][C:22]([C@@:23]3([H:68])[O:24][C@:25]([N:26]4:[C:27]([H:69]):[N:28]:[C:29]5:[C:30]([N:31]([H:70])[H:71]):[N:32]:[C:33]([H:72]):[N:34]:[C:35]:4:5)([H:73])[C@@:36]([O:37][H:74])([H:75])[C@@:38]3([O:39][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[C@:40]([O:41][H:83])([H:84])[C@:42]2([O:43][H:85])[H:86])[C:7]([H:64])=[C:6]1[H:63].[O:45]([C:47](=[O:46])[C:48]1:[C:49]([H:90]):[C:50]2:[C:51]([H:91]):[C:52]([H:92]):[C:53]([H:93]):[C:54]([H:94]):[C:55]:2:[C:56]2:[C:57]([H:95]):[C:58]([H:96]):[C:59]([H:97]):[C:60]([H:98]):[C:61]:1:2)[H:100]