4-Hydroxybenzaldehyde → HCID 18979539, compound
Reaction equation
[C:25]([CH:26]=[CH2:27])(=[O:28])[O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][O:38][c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[OH:45])[cH:46][cH:47]1.[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[CH:1]1([N:2]=[C:3]=[N:4][CH:5]2[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]2)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[Cl:57][CH2:58][Cl:59].[OH:16][c:17]1[cH:18][cH:19][c:20]([CH:21]=[O:22])[cH:23][cH:24]1>>[c:17]1([O:45][C:43]([c:42]2[cH:41][cH:40][c:39]([O:38][CH2:37][CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][O:29][C:25]([CH:26]=[CH2:27])=[O:28])[cH:47][cH:46]2)=[O:44])[cH:18][cH:19][c:20]([CH:21]=[O:22])[cH:23][cH:24]1Participants
6
Sources & evidence
- ORD record
- ord-29391ee5f9a3475a9586dfd259304a5e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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