Water → HCID 10885591, compound
Reaction equation
[B-:30]([F:31])([F:32])([F:33])[F:34].[CH2:52]1[CH2:53][O:54][CH2:55][CH2:56][NH:57]1.[Cl:1][c:2]1[c:3]([NH:9][c:10]2[n:11]([CH3:29])[c:12]3[c:13]([cH:14][cH:15][c:16]4[c:17]([CH2:24][C:25](=[O:26])[OH:27])[c:18]([CH3:23])[nH:19][c:20](=[O:22])[c:21]34)[n:28]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:58].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[n:11]([CH3:29])[c:12]3[c:13]([cH:14][cH:15][c:16]4[c:17]([CH2:24][C:25](=[O:26])[N:57]5[CH2:52][CH2:53][O:54][CH2:55][CH2:56]5)[c:18]([CH3:23])[nH:19][c:20](=[O:22])[c:21]34)[n:28]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-48fe359fa5e14645af29727dc5cbbb39
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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