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Acetonitrile → 5-Cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8yl)amino]-methyl}-benzoic acid methyl ester

HRID 2341894
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인쇄 미리보기

반응식

HRID 2341894 반응식
[CH3:1][c:2]1[c:3]([CH2:9][NH:10][CH:11]2[CH2:12][CH2:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][n:19][c:20]32)[n:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:21][O:22][C:23]([c:24]1[c:25]([CH2:32][Br:33])[cH:26][cH:27][c:28]([C:30]#[N:31])[cH:29]1)=[O:34].[CH3:44][C:45]#[N:46].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43]>>[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH:11]2[CH2:12][CH2:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][n:19][c:20]32)[CH2:32][c:25]2[c:24]([C:23]([O:22][CH3:21])=[O:34])[cH:29][c:28]([C:30]#[N:31])[cH:27][cH:26]2)[n:4][cH:5][c:6]([CH3:8])[cH:7]1
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참가 물질

5

반응물 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 17965928Methyl 2-(bromomethyl)-5-cyanobenzoateHCID 67271882(3,5-Dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine

생성물 1

HCID 672726215-Cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8yl)amino]-methyl}-benzoic acid methyl ester

출처 및 근거

ORD 기록
ord-907bfe138d0748b498cc71dbbeba374b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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