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

HRID 669267

Reaction equation

HRID 669267 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][CH2:18]1)[CH2:9][C:8]([F:19])([F:20])[C:7](=[O:21])[N:6]2[CH3:22].[ClH:35].[NH2:23][c:24]1[c:25]([O:33][CH3:34])[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]1>>[c:2]1([NH:23][c:24]2[c:25]([O:33][CH3:34])[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]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][CH2:18]1)[CH2:9][C:8]([F:19])([F:20])[C:7](=[O:21])[N:6]2[CH3:22]

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 2880572486-69-3HCID 579555542-Chloro-9-cyclohexyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Product 1

HCID 252536804-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid

Sources & evidence

ORD record
ord-5bb78a7d38e44f44bb1bcdb877fe85cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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