Ethyl 4-ethylbenzoate → HCID 178435879, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([CH2:10][CH3:11])[cH:12][cH:13]1.[Cl:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[n:22][nH:23][cH:24][c:25]2-[c:26]2[n:27][c:28]([NH:32][c:33]3[cH:34][cH:35][c:36]([O:39][CH2:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46])[cH:37][cH:38]3)[n:29][cH:30][cH:31]2)[cH:19][cH:20]1>>[CH2:1]([CH3:2])[c:15]1[cH:16][cH:17][c:18](-[c:21]2[n:22][nH:23][cH:24][c:25]2-[c:26]2[n:27][c:28]([NH:32][c:33]3[cH:34][cH:35][c:36]([O:39][CH2:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46])[cH:37][cH:38]3)[n:29][cH:30][cH:31]2)[cH:19][cH:20]1Participants
3
Sources & evidence
- ORD record
- ord-fab9b18f94fe4573a7eb5e08bf6a03ac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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