1,2-Dichloroethane → HCID 178498367, compound
Reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:1][O:2][C:3]([CH:4]1[N:5]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:6][CH:7]([OH:9])[CH2:8]1)=[O:17].[CH3:50][C:51](=[O:52])[OH:53].[Cl:19][c:20]1[c:21]([C:27](=[O:28])[NH:29][CH:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[nH:22][c:23]([CH3:26])[c:24]1[Cl:25].[Cl:54][CH2:55][CH2:56][Cl:57].[ClH:18].[Na+:49]>>[CH3:1][O:2][C:3]([CH:4]1[N:5]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:6][CH:7]([N:33]2[CH2:32][CH2:31][CH:30]([NH:29][C:27]([c:21]3[c:20]([Cl:19])[c:24]([Cl:25])[c:23]([CH3:26])[nH:22]3)=[O:28])[CH2:35][CH2:34]2)[CH2:8]1)=[O:17]Participants
8
Sources & evidence
- ORD record
- ord-379bf47b04214ff8a9cc4886f66746c1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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