Ammonium → 2-{3-[2-(5-Ethyl-pyridin-2-yl)-vinyl]-1H-indazol-6-ylamino}-benzoic acid
Reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:10][c:11]2[cH:12][cH:13][c:14]3[c:15]([CH:20]=[CH:21][c:22]4[n:23][cH:24][c:25]([CH2:28][CH3:29])[cH:26][cH:27]4)[n:16][nH:17][c:18]3[cH:19]2)[cH:6][cH:7][cH:8][cH:9]1)=[O:30].[CH3:35][OH:36].[Cl-:33].[NH4+:34].[Na+:32].[OH-:31].[OH2:42]>>[O:2]=[C:3]([c:4]1[c:5]([NH:10][c:11]2[cH:12][cH:13][c:14]3[c:15]([CH:20]=[CH:21][c:22]4[n:23][cH:24][c:25]([CH2:28][CH3:29])[cH:26][cH:27]4)[n:16][nH:17][c:18]3[cH:19]2)[cH:6][cH:7][cH:8][cH:9]1)[OH:30]Participants
9
Sources & evidence
- ORD record
- ord-800a9802ef0e46e8be64261ba9f67354
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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