Trifluoroacetic acid → 4-(9'-Cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclobutane-1,7'-pyrimido[4,5-b][1,4]diazepine]-2'-ylamino)-3-methoxybenzoic acid

HRID 107157

Reaction equation

HRID 107157 reaction equation
[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]1([CH2:10][CH2:11][CH2:12]1)[C:13](=[O:16])[N:14]2[CH3:15].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[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]1([CH2:10][CH2:11][CH2:12]1)[C:13](=[O:16])[N:14]2[CH3:15]

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 2880572486-69-3HCID 579698622'-Chloro-9'-cyclopentyl-5'-methyl-8',9'-dihydrospiro[cyclobutane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one

Product 1

HCID 579698754-(9'-Cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclobutane-1,7'-pyrimido[4,5-b][1,4]diazepine]-2'-ylamino)-3-methoxybenzoic acid

Sources & evidence

ORD record
ord-304271a90749439bb18a0e49f37e3891
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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