2-Tert-butyl-4-[4-(3-chloro-propyl)-piperazin-1-yl]-6-difluoromethyl-pyrimidine → Hydrochloric Acid

HRID 1223092노트

반응식

HRID 1223092 반응식
[C:8]([CH3:9])([CH3:10])([CH3:11])[c:12]1[n:13][c:14]([CH:28]([F:29])[F:30])[cH:15][c:16]([N:18]2[CH2:19][CH2:20][N:21]([CH2:24][CH2:25][CH2:26][Cl:27])[CH2:22][CH2:23]2)[n:17]1.[CH3:1][n:2]1[c:3]([SH:7])[n:4][n:5][cH:6]1>>[CH3:1][n:2]1[c:3]([S:7][CH2:26][CH2:25][CH2:24][N:21]2[CH2:20][CH2:19][N:18]([c:16]3[cH:15][c:14]([CH:28]([F:29])[F:30])[n:13][c:12]([C:8]([CH3:9])([CH3:10])[CH3:11])[n:17]3)[CH2:23][CH2:22]2)[n:4][n:5][cH:6]1.[ClH:27]

참가 물질

4

반응물 2

HCID 223498752-Tert-butyl-4-[4-(3-chloro-propyl)-piperazin-1-yl]-6-difluoromethyl-pyrimidineHCID 178481306HCID 178481306, 화합물

생성물 2

HCID 313Hydrochloric AcidHCID 111777752-Tert-butyl-4-(difluoromethyl)-6-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine

출처 및 근거

ORD 기록
ord-94b5e448ffc9401aaf746f0120de9ce3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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