Ethyl 3-chloro-3-oxopropionate → HCID 178441548, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:17]1[CH2:18][c:19]1[cH:20][cH:21][c:22](-[c:25]3[c:26](-[c:31]4[n:32][n:33][n:34][nH:35]4)[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]1)[CH:9]([C:13](=[O:14])[O:15][CH3:16])[NH:10][CH2:11][CH2:12]2.[CH2:36]([CH3:37])[O:38][C:39](=[O:40])[CH2:41][C:42](=[O:43])[Cl:44]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:17]1[CH2:18][c:19]1[cH:20][cH:21][c:22](-[c:25]3[c:26](-[c:31]4[n:32][n:33][n:34][nH:35]4)[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]1)[CH:9]([C:13](=[O:14])[O:15][CH3:16])[N:10]([C:42]([CH2:41][C:39]([O:38][CH2:36][CH3:37])=[O:40])=[O:43])[CH2:11][CH2:12]2Participants
3
Sources & evidence
- ORD record
- ord-b5e26c7c2f8e4c4890da985528683daa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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