1,2-Dichloroethane → HCID 70275423, compound
Reaction equation
[CH2:46]([Cl:47])[CH2:48][Cl:49].[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][NH:7][CH2:8][CH:9]([C:11]([NH:12][CH2:13][CH2:14][c:15]2[cH:16][n:17][cH:18][n:19]2[CH2:20][c:21]2[cH:22][cH:23][c:24]([C:27]#[N:28])[cH:25][cH:26]2)=[O:29])[CH2:10]1.[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[c:30]1([CH:36]([C:37](=[O:38])[OH:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][N:7]([C:37]([CH:36]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)=[O:38])[CH2:8][CH:9]([C:11]([NH:12][CH2:13][CH2:14][c:15]2[cH:16][n:17][cH:18][n:19]2[CH2:20][c:21]2[cH:22][cH:23][c:24]([C:27]#[N:28])[cH:25][cH:26]2)=[O:29])[CH2:10]1Participants
6
Sources & evidence
- ORD record
- ord-a00519a526e84cb69933cca14fc97e9d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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