1-(Propan-2-yl)-1H-benzotriazole-5-carboxylic acid → HCID 59401829, compound
Reaction equation
[CH3:1][c:2]1[c:3]([NH2:19])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH:10]([N:13]3[CH:14]([CH3:18])[CH2:15][CH2:16][CH2:17]3)[CH2:11][CH2:12]2)[cH:7]1.[CH:20]([CH3:21])([CH3:22])[n:23]1[n:24][n:25][c:26]2[c:27]1[cH:28][cH:29][c:30]([C:32](=[O:33])[OH:34])[cH:31]2>>[CH3:1][c:2]1[c:3]([NH:19][C:32]([c:30]2[cH:29][cH:28][c:27]3[n:23]([CH:20]([CH3:21])[CH3:22])[n:24][n:25][c:26]3[cH:31]2)=[O:33])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH:10]([N:13]3[CH:14]([CH3:18])[CH2:15][CH2:16][CH2:17]3)[CH2:11][CH2:12]2)[cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-c7121b98ea7947b3b6bb9849bd3c7fa7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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