Acetonitrile → 2-[4-[[2-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile

HRID 171250

반응식

HRID 171250 반응식
[CH3:35][C:36]#[N:37].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][CH2:9][N:10]([c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[CH2:11]2.[NH2:21][CH:22]([CH2:23][OH:24])[c:25]1[cH:26][n:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]1>>[c:2]1([NH:21][CH:22]([CH2:23][OH:24])[c:25]2[cH:26][n:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][CH2:9][N:10]([c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[CH2:11]2

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 598406882-(4-Chloro-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrileHCID 670537702-Amino-2-[6-(trifluoromethyl)pyridin-3-yl]ethan-1-ol

생성물 1

HCID 744236742-[4-[[2-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile

출처 및 근거

ORD 기록
ord-8849f3a5c1d54475828d31b252658f49
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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