Citric Acid → N-[3-Cyano-5-methyl-4-(4-phenoxy-phenylamino)-pyrrolo[1,2-b]pyridazin-6-yl]-methanesulfonamide
Reaction equation
[CH3:29][N:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[CH3:36][S:37]([Cl:38])(=[O:39])=[O:40].[Cl:54][CH2:55][Cl:56].[ClH:1].[NH2:2][c:3]1[c:4]([CH3:28])[c:5]2[n:6]([n:7][cH:8][c:9]([C:25]#[N:26])[c:10]2[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:27]1.[OH:41][C:42]([CH2:43][C:44]([C:45](=[O:46])[OH:47])([CH2:48][C:49](=[O:50])[OH:51])[OH:52])=[O:53]>>[NH:2]([c:3]1[c:4]([CH3:28])[c:5]2[n:6]([n:7][cH:8][c:9]([C:25]#[N:26])[c:10]2[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:27]1)[S:37]([CH3:36])(=[O:39])=[O:40]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-0156f03bc858489891130deecfe85f9b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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