Water → HCID 178440269, compound
Reaction equation
[B-:50]([F:51])([F:52])([F:53])[F:54].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:1][c:2]1[c:3](-[n:10]2[nH:11][c:12]([CH:30]([CH3:31])[CH3:32])[c:13]3[c:18](=[O:19])[n:17][c:16]([CH2:20][c:21]4[cH:22][cH:23][c:24]([C:27](=[O:28])[OH:29])[cH:25][cH:26]4)[n:15][c:14]2-3)[c:4]([Cl:9])[cH:5][c:6]([Cl:8])[cH:7]1.[NH2:33][N:34]1[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[Cl:1][c:2]1[c:3](-[n:10]2[nH:11][c:12]([CH:30]([CH3:31])[CH3:32])[c:13]3[c:18](=[O:19])[n:17][c:16]([CH2:20][c:21]4[cH:22][cH:23][c:24]([C:27](=[O:28])[NH:33][N:34]5[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]5)[cH:25][cH:26]4)[n:15][c:14]2-3)[c:4]([Cl:9])[cH:5][c:6]([Cl:8])[cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-f012787afdf14d6c80528346cb3e6eea
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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