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

HRID 97604

Reaction equation

HRID 97604 reaction equation
[CH3:36][CH2:37][OH:38].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:22]1)[N:7]([CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1)[CH2:8][C:9]([F:15])([F:16])[C:10](=[O:14])[N:11]2[CH2:12][CH3:13].[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:6]([n:22]1)[N:7]([CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1)[CH2:8][C:9]([F:15])([F:16])[C:10](=[O:14])[N:11]2[CH2:12][CH3:13]

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 2880572486-69-3HCID 866375052-Chloro-9-cyclopentyl-5-ethyl-7,7-difluoro-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Product 1

HCID 580151614-(9-cyclopentyl-5-ethyl-7,7-difluoro-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-18a513cac5814de1b2c835eb39b0152c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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