Reaction equation
[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH:11]3[CH2:12][CH2:13][CH:14]([CH2:15]1)[N:16]3[CH2:17][CH2:18][C:19]1([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1)[cH:31][cH:32][cH:33][cH:34]2.[Cl:63][CH2:64][CH2:65][Cl:66].[ClH:1].[ClH:2].[Na+:62].[O:49]([BH-:50]([O:51][C:52]([CH3:53])=[O:54])[O:55][C:56]([CH3:57])=[O:58])[C:59]([CH3:60])=[O:61].[s:42]1[c:43]([CH:47]=[O:48])[n:44][cH:45][cH:46]1>>[CH3:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH:11]3[CH2:12][CH2:13][CH:14]([CH2:15]1)[N:16]3[CH2:17][CH2:18][C:19]1([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:20][CH2:21][N:22]([CH2:47][c:43]3[s:42][cH:46][cH:45][n:44]3)[CH2:23][CH2:24]1)[cH:31][cH:32][cH:33][cH:34]2Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-023f38d5e1e24234a63ebd78bd2f67e7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Linked notes
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