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

HRID 104262

반응식

HRID 104262 반응식
[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:35].[NH2:22][c:23]1[cH:24][c:25]([F:34])[c:26]([C:27](=[O:28])[OH:29])[cH:30][c:31]1[O:32][CH3:33]>>[c:2]1([NH:22][c:23]2[cH:24][c:25]([F:34])[c:26]([C:27](=[O:28])[OH:29])[cH:30][c:31]2[O:32][CH3:33])[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]

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 529829634-Amino-2-fluoro-5-methoxybenzoic acidHCID 579555742-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-one

생성물 1

HCID 252536794-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxybenzoic acid

출처 및 근거

ORD 기록
ord-3bd2250d0c274ef095c087bcfd8a632b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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