Ammonium → 1,1-dimethylethyl 4-{5-[4-[3-(4-aminophenyl)-1-methyl-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyrimidinyl}-1-piperazinecarboxylate
Reaction equation
[CH3:3][n:4]1[n:5][c:6](-[c:46]2[cH:47][cH:48][c:49]([N+:52]([O-:53])=[O:54])[cH:50][cH:51]2)[c:7](-[c:9]2[c:10]3[c:11]([n:12][cH:13][cH:14]2)[n:15]([S:37](=[O:38])(=[O:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:16](-[c:18]2[cH:19][n:20][c:21]([N:24]4[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]4)[n:22][cH:23]2)[cH:17]3)[cH:8]1.[CH3:56][OH:57].[Cl-:1].[Fe:58].[NH4+:2].[OH2:55]>>[CH3:3][n:4]1[n:5][c:6](-[c:46]2[cH:47][cH:48][c:49]([NH2:52])[cH:50][cH:51]2)[c:7](-[c:9]2[c:10]3[c:11]([n:12][cH:13][cH:14]2)[n:15]([S:37](=[O:38])(=[O:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:16](-[c:18]2[cH:19][n:20][c:21]([N:24]4[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]4)[n:22][cH:23]2)[cH:17]3)[cH:8]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-570818ffa19043ef8775da8aefda7b7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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