1,2-Dichloroethane → HCID 23156197, 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].[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][cH:8][cH:9][c:10]2[CH3:11])[n:12]1[CH2:13][c:14]1[cH:15][cH:16][c:17]([NH:20][CH2:21][CH:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:18][cH:19]1.[CH3:28][N:29]1[CH2:30][CH2:31][C:32](=[O:35])[CH2:33][CH2:34]1.[Cl:52][CH2:53][CH2:54][Cl:55].[Na+:49].[Na+:51].[OH-:50]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][cH:8][cH:9][c:10]2[CH3:11])[n:12]1[CH2:13][c:14]1[cH:15][cH:16][c:17]([NH:20][CH2:21][CH:22]2[CH2:23][CH2:24][N:25]([CH:32]3[CH2:31][CH2:30][N:29]([CH3:28])[CH2:34][CH2:33]3)[CH2:26][CH2:27]2)[cH:18][cH:19]1Participants
7
Sources & evidence
- ORD record
- ord-221c5303054247928f66dff5fbc4ac84
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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