Water → tert-butyl N-[2-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate

HRID 663160

Reaction equation

HRID 663160 reaction equation
[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[n:3][c:4]([Cl:24])[c:5]([F:23])[c:6]2[c:7]1[C:8](=[O:22])[N:9]([CH2:11][c:12]1[c:13]([O:20][CH3:21])[cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[CH2:10]2.[NH2:25][CH:26]1[CH:27]([NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:28][CH2:29][CH2:30][CH2:31]1.[OH2:49]>>[Cl:1][c:2]1[n:3][c:4]([NH:25][CH:26]2[CH:27]([NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:28][CH2:29][CH2:30][CH2:31]2)[c:5]([F:23])[c:6]2[c:7]1[C:8](=[O:22])[N:9]([CH2:11][c:12]1[c:13]([O:20][CH3:21])[cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[CH2:10]2

Participants

6

Reactant 5

HCID 962WaterHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 3268011tert-Butyl (2-aminocyclohexyl)carbamateHCID 583175754,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H,2H,3H-pyrrolo[3,4-c]pyridin-3-one

Product 1

HCID 87320428tert-butyl N-[2-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate

Sources & evidence

ORD record
ord-bec0e49cd73d4246a16e38a8a953d980
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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