Acetonitrile → N-(4-tert-Butylphenyl)-7-benzyl-5,6,7,8-tetrahydro-2-(methylthio)pyrido[3,4-d]pyrimidin-4-amine

반응식

[C:21]([CH3:22])([CH3:23])([CH3:24])[c:25]1[cH:26][cH:27][c:28]([NH2:29])[cH:30][cH:31]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[n:11][c:12]([S:19][CH3:20])[n:13][c:14]([Cl:18])[c:15]2[CH2:16][CH2:17]1.[CH3:32][C:33]#[N:34]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[n:11][c:12]([S:19][CH3:20])[n:13][c:14]([NH:29][c:28]3[cH:27][cH:26][c:25]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:31][cH:30]3)[c:15]2[CH2:16][CH2:17]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 698614-Tert-Butylaniline

HCID 529876597-Benzyl-4-chloro-2-(methylthio)-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidine

생성물 1

HCID 59021482N-(4-tert-Butylphenyl)-7-benzyl-5,6,7,8-tetrahydro-2-(methylthio)pyrido[3,4-d]pyrimidin-4-amine

출처 및 근거

ORD 기록: ord-80b53dc0c94342ac964a8ad60ec138cf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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