Water → HCID 68465476, compound
Reaction equation
[B-:1]([F:2])([F:3])([F:4])[F:5].[CH2:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH:28]([CH3:29])[CH3:30])[CH3:31].[CH3:32][O:33][CH2:34][CH2:35][C:36](=[O:37])[OH:38].[Cl:39][c:40]1[cH:41][cH:42][c:43]([CH2:44][n:45]2[c:46]([CH2:61][O:62][c:63]3[cH:64][cH:65][cH:66][cH:67][cH:68]3)[n:47][c:48]3[c:49]2[cH:50][c:51]([N:55]2[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]2)[c:52]([F:54])[cH:53]3)[cH:69][cH:70]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[CH3:32][O:33][CH2:34][CH2:35][C:36](=[O:38])[N:58]1[CH2:57][CH2:56][N:55]([c:51]2[cH:50][c:49]3[n:45]([CH2:44][c:43]4[cH:42][cH:41][c:40]([Cl:39])[cH:70][cH:69]4)[c:46]([CH2:61][O:62][c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[n:47][c:48]3[cH:53][c:52]2[F:54])[CH2:60][CH2:59]1Participants
8
Sources & evidence
- ORD record
- ord-be8d4463c4de4447b307df18a371db4f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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