1,2-Dichloroethane → HCID 76167726, compound
Reaction equation
[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[CH2:66]1[O:67][CH2:68][CH2:69][O:70][CH2:71]1.[Cl:1][c:2]1[c:3]([CH:11]([CH3:12])[c:13]2[cH:14][nH:15][c:16]3[n:17][cH:18][c:19](-[c:22]4[cH:23][n:24][n:25]([CH:28]5[CH2:29][CH2:30][C:31](=[O:34])[CH2:32][CH2:33]5)[c:26]4[CH3:27])[cH:20][c:21]23)[c:4]([O:9][CH3:10])[cH:5][cH:6][c:7]1[F:8].[Cl:62][CH2:63][CH2:64][Cl:65].[ClH:72].[N:35]1([C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[Na+:61]>>[Cl:1][c:2]1[c:3]([CH:11]([CH3:12])[c:13]2[cH:14][nH:15][c:16]3[n:17][cH:18][c:19](-[c:22]4[cH:23][n:24][n:25]([CH:28]5[CH2:29][CH2:30][CH:31]([N:35]6[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]6)[CH2:32][CH2:33]5)[c:26]4[CH3:27])[cH:20][c:21]23)[c:4]([O:9][CH3:10])[cH:5][cH:6][c:7]1[F:8]Participants
8
Sources & evidence
- ORD record
- ord-c3021dab21534de1bb737754f8f62561
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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