1,2-Dichloroethane → HCID 11755037, compound
Reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH3:28][C:29](=[O:30])[OH:31].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[CH:32]1([CH:38]=[O:39])[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[Cl:60][CH2:61][CH2:62][Cl:63].[NH2:1][c:2]1[c:3](-[c:12]2[cH:13][c:14]([NH:18][c:19]3[cH:20][c:21]4[c:22]([n:23][cH:24][s:25]4)[cH:26][cH:27]3)[n:15][cH:16][n:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Na+:53]>>[NH:1]([c:2]1[c:3](-[c:12]2[cH:13][c:14]([NH:18][c:19]3[cH:20][c:21]4[c:22]([n:23][cH:24][s:25]4)[cH:26][cH:27]3)[n:15][cH:16][n:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1)[CH2:38][CH:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1Participants
8
Sources & evidence
- ORD record
- ord-09ca4de2e501448b9f27d4411c2a0435
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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