Methanol → 3-Cyano-4-[4-(2-methoxy-phenoxy)-phenylamino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid
Reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:32])[c:7]2[n:8]([n:9][cH:10][c:11]([C:29]#[N:30])[c:12]2[NH:13][c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]3)[cH:18][cH:19]2)[cH:31]1.[CH3:35][OH:36].[Na+:34].[OH-:33]>>[O:2]=[C:3]([OH:4])[c:5]1[c:6]([CH3:32])[c:7]2[n:8]([n:9][cH:10][c:11]([C:29]#[N:30])[c:12]2[NH:13][c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]3)[cH:18][cH:19]2)[cH:31]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-90b9571fe9b0465abfc1e4cf992b9ddf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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