Chloride → Ethyl 3-{[3-(2-ethoxy-2-oxoethyl)azetidin-1-yl]carbonyl}-4-{3-[4-(4-phenoxybutoxy)phenyl]-propoxy}benzoate
Reaction equation
[CH2:12]([CH3:13])[O:14][C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([O:26][CH2:27][CH2:28][CH2:29][c:30]2[cH:31][cH:32][c:33]([O:36][CH2:37][CH2:38][CH2:39][CH2:40][O:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[cH:34][cH:35]2)[c:21]([C:22](=[O:23])[OH:24])[cH:25]1.[CH2:2]([CH3:3])[O:4][C:5]([CH2:6][CH:7]1[CH2:8][NH2+:9][CH2:10]1)=[O:11].[Cl-:1]>>[CH2:2]([CH3:3])[O:4][C:5]([CH2:6][CH:7]1[CH2:8][N:9]([C:22]([c:21]2[c:20]([O:26][CH2:27][CH2:28][CH2:29][c:30]3[cH:31][cH:32][c:33]([O:36][CH2:37][CH2:38][CH2:39][CH2:40][O:41][c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:34][cH:35]3)[cH:19][cH:18][c:17]([C:15]([O:14][CH2:12][CH3:13])=[O:16])[cH:25]2)=[O:23])[CH2:10]1)=[O:11]Participants
4
Sources & evidence
- ORD record
- ord-312bf08387a7401f8945f0456d7cc100
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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