Acetic Acid → 6-[(2-Aminocyclohexyl)amino]-7-chloro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

HRID 2142215Notes

Reaction equation

HRID 2142215 reaction equation
[C:34]([OH:35])(=[O:36])[CH3:37].[Cl:1][c:2]1[c:3]2[c:4]([c:5](-[c:23]3[cH:24][n:25][n:26]([CH3:28])[cH:27]3)[n:6][c:7]1[NH:8][CH:9]1[CH:10]([NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:11][CH2:12][CH2:13][CH2:14]1)[C:29](=[O:32])[NH:30][CH2:31]2.[ClH:33]>>[Cl:1][c:2]1[c:3]2[c:4]([c:5](-[c:23]3[cH:24][n:25][n:26]([CH3:28])[cH:27]3)[n:6][c:7]1[NH:8][CH:9]1[CH:10]([NH2:15])[CH2:11][CH2:12][CH2:13][CH2:14]1)[C:29](=[O:32])[NH:30][CH2:31]2

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 156396573tert-butyl N-[2-[[7-chloro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate

Product 1

HCID 759926176-[(2-Aminocyclohexyl)amino]-7-chloro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

Sources & evidence

ORD record
ord-82e04a6cab2f44aeaee21f1727ef8675
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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