Chloride → HCID 59603511, compound
Reaction equation
[CH3:1][c:2]1[nH:3][c:4]2[cH:5][cH:6][c:7]([F:11])[cH:8][c:9]2[cH:10]1.[Cl-:47].[Cl:14][c:15]1[n:16][c:17]([N:34]2[CH2:35][CH2:36][O:37][CH2:38][CH2:39]2)[c:18]2[c:19]([n:20]1)[cH:21][c:22]([CH2:24][N:25]1[CH2:26][CH2:27][CH:28]([N:31]([CH3:32])[CH3:33])[CH2:29][CH2:30]1)[s:23]2.[H-:12].[Na+:13].[Na+:46].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:45]>>[CH3:1][c:2]1[n:3](-[c:15]2[n:16][c:17]([N:34]3[CH2:35][CH2:36][O:37][CH2:38][CH2:39]3)[c:18]3[c:19]([n:20]2)[cH:21][c:22]([CH2:24][N:25]2[CH2:26][CH2:27][CH:28]([N:31]([CH3:32])[CH3:33])[CH2:29][CH2:30]2)[s:23]3)[c:4]2[cH:5][cH:6][c:7]([F:11])[cH:8][c:9]2[cH:10]1Participants
8
Sources & evidence
- ORD record
- ord-d4be8d130fa8442b874c618db3bb7ccc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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