1,2-Dichloroethane → HCID 23156171, compound
Reaction equation
[C:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48](=[O:49])[N:50]1[CH2:51][CH2:52][CH:53]([C:56](=[O:57])[OH:58])[CH2:54][CH2:55]1.[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][cH:17][c:18]([NH:21][CH:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:19][cH:20]1.[CH2:28]([Cl:29])[CH2:30][Cl:31].[OH2:32].[OH2:59].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][cH:17][c:18]([NH:21][CH:22]2[CH2:23][CH2:24][N:25]([C:56]([CH:53]3[CH2:52][CH2:51][N:50]([C:48]([O:47][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:49])[CH2:55][CH2:54]3)=[O:57])[CH2:26][CH2:27]2)[cH:19][cH:20]1Participants
6
Sources & evidence
- ORD record
- ord-7f1598cff43a4fe99e0ce44be54f7232
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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