Propanal → HCID 178456235, compound
Reaction equation
[CH:45]([CH2:46][CH3:47])=[O:48].[NH:1]1[CH2:2][CH:3]([CH2:7][NH:8][C:9](=[O:10])[CH:11]2[N:12]([C:16](=[O:17])[CH:18]3[N:19]([C:23]([CH2:24][C:25]([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)=[O:44])[CH2:20][CH2:21][CH2:22]3)[CH2:13][CH2:14][CH2:15]2)[CH2:4][CH2:5][CH2:6]1>>[N:1]1([CH2:45][CH2:46][CH3:47])[CH2:2][CH:3]([CH2:7][NH:8][C:9](=[O:10])[CH:11]2[N:12]([C:16](=[O:17])[CH:18]3[N:19]([C:23]([CH2:24][C:25]([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)=[O:44])[CH2:20][CH2:21][CH2:22]3)[CH2:13][CH2:14][CH2:15]2)[CH2:4][CH2:5][CH2:6]1Participants
3
Sources & evidence
- ORD record
- ord-5c351504b97f475ca1d0951a6006d24a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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