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EVODEX.1-P701

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:10]([C:9]1:[C:8]([H:66]):[C:7]2:[C:6]([H:65]):[C:5]([H:64]):[C:4]([N:2]([C:1]([H:71])([H:72])[H:73])[C:3]([H:61])([H:62])[H:63]):[C:15]([H:70]):[C:14]:2:[C:13]([H:69]):[C:12]:1[H:68])=[O:11].[H][O:60][H:102]>>[C:1]([N:2]([C:3]([H:61])([H:62])[H:63])[C:4]1:[C:5]([H:64]):[C:6]([H:65]):[C:7]2:[C:8]([H:66]):[C:9]([C:10](=[O:11])[O:60][H:102]):[C:12]([H:68]):[C:13]([H:69]):[C:14]:2:[C:15]:1[H:70])([H:71])([H:72])[H:73]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E42 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:16]-[#6:17](=[#8:18])-[H].[#8:19](-[H:61])-[H]>>[#6:16]-[#6:17](=[#8:18])-[#8:19]-[H:61]

EVODEX.1-C71 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N27 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:4])=[#8:6].[H]-[#8:7]-[H:18]>>[#6:4]-[#6:5](=[#8:6])-[#8:7]-[H:18]

EVODEX.1-Em169 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:60]>>[#6:9]-[#6:10](=[#8:11])-[#8:60]

EVODEX.1-Cm112 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm92 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:4])=[#8:6].[H]-[#8:7]>>[#6:4]-[#6:5](=[#8:6])-[#8:7]

Source Full Reactions

EVODEX.1-R734

Full Reaction Rendering

[H][C:10]([C:9]1:[C:8]([H:24]):[C:7]2:[C:6]([H:23]):[C:5]([H:22]):[C:4]([N:2]([C:1]([H:29])([H:30])[H:31])[C:3]([H:19])([H:20])[H:21]):[C:15]([H:28]):[C:14]:2:[C:13]([H:27]):[C:12]:1[H:26])=[O:11].[O:17]=[O:18].[H][O:16][H:32]>>[C:1]([N:2]([C:3]([H:19])([H:20])[H:21])[C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]2:[C:8]([H:24]):[C:9]([C:10](=[O:11])[O:16][H:32]):[C:12]([H:26]):[C:13]([H:27]):[C:14]:2:[C:15]:1[H:28])([H:29])([H:30])[H:31].[H][O:17][O:18][H]

EVODEX.1-R656

Full Reaction Rendering

[H][C:10]([C:9]1:[C:8]([H:66]):[C:7]2:[C:6]([H:65]):[C:5]([H:64]):[C:4]([N:2]([C:1]([H:71])([H:72])[H:73])[C:3]([H:61])([H:62])[H:63]):[C:15]([H:70]):[C:14]:2:[C:13]([H:69]):[C:12]:1[H:68])=[O:11].[N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:74]):[C:21]([H:75]):[C:22]([H:76]):[N+:23]([C@:24]2([H:77])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:78])[O:32][P:33](=[O:34])([O:35][H:79])[O:36][C:37]([C@@:38]3([H:80])[O:39][C@:40]([N:41]4:[C:42]([H:81]):[N:43]:[C:44]5:[C:45]([N:46]([H:82])[H:83]):[N:47]:[C:48]([H:84]):[N:49]:[C:50]:4:5)([H:85])[C@@:51]([O:52][H:86])([H:87])[C@@:53]3([O:54][H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[C@:55]([O:56][H:95])([H:96])[C@:57]2([O:58][H:97])[H:98]):[C:59]:1[H:99])([H:100])[H:101].[H][O:60][H:102]>>[C:1]([N:2]([C:3]([H:61])([H:62])[H:63])[C:4]1:[C:5]([H:64]):[C:6]([H:65]):[C:7]2:[C:8]([H:66]):[C:9]([C:10](=[O:11])[O:60][H:102]):[C:12]([H:68]):[C:13]([H:69]):[C:14]:2:[C:15]:1[H:70])([H:71])([H:72])[H:73].[HH].[H][C:20]1([H:74])[C:19]([C:17]([N:16]([H:100])[H:101])=[O:18])=[C:59]([H:99])[N:23]([C@:24]2([H:77])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:78])[O:32][P:33](=[O:34])([O:35][H:79])[O:36][C:37]([C@@:38]3([H:80])[O:39][C@:40]([N:41]4:[C:42]([H:81]):[N:43]:[C:44]5:[C:45]([N:46]([H:82])[H:83]):[N:47]:[C:48]([H:84]):[N:49]:[C:50]:4:5)([H:85])[C@@:51]([O:52][H:86])([H:87])[C@@:53]3([O:54][H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[C@:55]([O:56][H:95])([H:96])[C@:57]2([O:58][H:97])[H:98])[C:22]([H:76])=[C:21]1[H:75]