1,2-Dichloroethane → HCID 178451605, compound
Reaction equation
[CH2:64]([Cl:65])[CH2:66][Cl:67].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[NH2:1][c:2]1[c:3]([Br:29])[cH:4][c:5]([CH2:6][CH:7]2[N:8]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH:9]([CH:12]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[OH:19])[CH2:10][CH2:11]2)[cH:27][cH:28]1.[NH2:30][c:31]1[s:32][cH:33][c:34]([CH2:36][C:37](=[O:38])[OH:39])[n:35]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[NH:1]([c:2]1[c:3]([Br:29])[cH:4][c:5]([CH2:6][CH:7]2[N:8]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH:9]([CH:12]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[OH:19])[CH2:10][CH2:11]2)[cH:27][cH:28]1)[C:37]([CH2:36][c:34]1[cH:33][s:32][c:31]([NH2:30])[n:35]1)=[O:38]Participants
7
Sources & evidence
- ORD record
- ord-872abbd3184b44b1b3f1e7c1be0dfd20
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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