1,2-Dichloroethane → HCID 23157418, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:14][c:15]2[cH:16][c:17]([CH:18]=[O:19])[cH:20][cH:21][c:22]2[O:23][CH2:24][CH:25]([CH3:26])[CH3:27])[c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:9]1.[C:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[CH3:43][C:44](=[O:45])[OH:46].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[Cl:61][CH2:62][CH2:63][Cl:64].[NH2:28][c:29]1[cH:30][c:31]([F:42])[c:32]([CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:33][cH:34]1.[Na+:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:14][c:15]2[cH:16][c:17]([CH2:18][NH:28][c:29]3[cH:30][c:31]([F:42])[c:32]([CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:33][cH:34]3)[cH:20][cH:21][c:22]2[O:23][CH2:24][CH:25]([CH3:26])[CH3:27])[c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:9]1Participants
8
Sources & evidence
- ORD record
- ord-57bd96e28b564d9b92cfce0fe766dbe3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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