Ethyl 3-chloro-3-oxopropionate → HCID 19736528, 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][n:35]4[C:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]1)[CH2:9][NH:10][CH:11]([C:13](=[O:14])[O:15][CH3:16])[CH2:12]2.[CH2:55]([CH3:56])[O:57][C:58](=[O:59])[CH2:60][C:61](=[O:62])[Cl:63]>>[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][n:35]4[C:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]1)[CH2:9][N:10]([C:61]([CH2:60][C:58]([O:57][CH2:55][CH3:56])=[O:59])=[O:62])[CH:11]([C:13](=[O:14])[O:15][CH3:16])[CH2:12]2Participants
3
Sources & evidence
- ORD record
- ord-a368378fc22c4df4a2db0e373015e358
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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