Hydrochloric Acid → 4-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid

HRID 210145

Reaction equation

HRID 210145 reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[CH2:9][C:8]([F:18])([F:19])[C:7](=[O:20])[N:6]2[CH3:21].[ClH:34].[NH2:22][c:23]1[c:24]([O:32][CH3:33])[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]1>>[c:2]1([NH:22][c:23]2[c:24]([O:32][CH3:33])[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]2)[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[CH2:9][C:8]([F:18])([F:19])[C:7](=[O:20])[N:6]2[CH3:21]

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 2880572486-69-3HCID 579555742-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-one

Product 1

HCID 252529054-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid

Sources & evidence

ORD record
ord-74fd0593f3d84780b6b8a905c32e3f30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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