Water → HCID 67055472, compound
Reaction equation
[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:20][O:21][C:22]([c:23]1[c:24]([O:60][CH:61]([CH3:62])[CH3:63])[cH:25][c:26]([O:29][CH2:30][CH2:31][c:32]2[c:33]([CH2:55][CH2:56][N:57]=[N+:58]=[N-:59])[n:34]([CH:42]([c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[c:35]3[cH:36][cH:37][c:38]([Cl:41])[cH:39][c:40]23)[cH:27][cH:28]1)=[O:64].[OH2:65].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH3:20][O:21][C:22]([c:23]1[c:24]([O:60][CH:61]([CH3:62])[CH3:63])[cH:25][c:26]([O:29][CH2:30][CH2:31][c:32]2[c:33]([CH2:55][CH2:56][NH2:57])[n:34]([CH:42]([c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[c:35]3[cH:36][cH:37][c:38]([Cl:41])[cH:39][c:40]23)[cH:27][cH:28]1)=[O:64]Participants
5
Sources & evidence
- ORD record
- ord-fd4e70387ac3452c9b3c9eb9533c6b41
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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