Hydrochloric Acid → 1-(2-(3-aminopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)-2,2-dimethylpropan-1-one

반응식

[CH3:33][OH:34].[CH3:35][OH:36].[ClH:32].[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][CH2:6][C:7]1([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[S:8][C:9]([c:18]2[c:19]([F:25])[cH:20][cH:21][c:22]([F:24])[cH:23]2)=[N:10][N:11]1[C:12]([C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17]>>[NH2:1][CH2:4][CH2:5][CH2:6][C:7]1([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[S:8][C:9]([c:18]2[c:19]([F:25])[cH:20][cH:21][c:22]([F:24])[cH:23]2)=[N:10][N:11]1[C:12]([C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17]

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 887Methanol2회

HCID 866048381-(2-(3-azidopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)-2,2-dimethylpropan-1-one

생성물 1

HCID 601398321-(2-(3-aminopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)-2,2-dimethylpropan-1-one

출처 및 근거

ORD 기록: ord-5cd2787bb8b444cf8072929a4f3e17c1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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