Acetic Acid → 1-(4-(2-(4-amino-1H-imidazol-1-yl)ethoxy)naphthalen-1-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([O:24][CH2:25][CH2:26][n:27]3[cH:28][n:29][c:30]([N+:32]([O-:33])=[O:34])[cH:31]3)[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[cH:9]1.[C:47]([OH:48])(=[O:49])[CH3:50].[CH3:45][OH:46].[Cl:42][CH2:43][Cl:44].[H:51][H:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([O:24][CH2:25][CH2:26][n:27]3[cH:28][n:29][c:30]([NH2:32])[cH:31]3)[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[cH:9]1Participants
6
Sources & evidence
- ORD record
- ord-4b6567118c314605b8b9b6932c563cce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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