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N-methyl-2-pyrrolidone → 3-(4-(4-cyano-1-methyl-1H-imidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy)propyl methanesulfonate

HRID 2148477
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HRID 2148477 반응식
[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[OH:6][CH2:7][CH2:8][CH2:9][O:10][c:11]1[c:12]([C:29]([F:30])([F:31])[F:32])[cH:13][c:14](-[c:17]2[cH:18][c:19]3[c:20]([c:21]([C:23]#[N:24])[n:22]2)[n:25][cH:26][n:27]3[CH3:28])[cH:15][cH:16]1>>[CH3:1][S:2](=[O:4])(=[O:5])[O:6][CH2:7][CH2:8][CH2:9][O:10][c:11]1[c:12]([C:29]([F:30])([F:31])[F:32])[cH:13][c:14](-[c:17]2[cH:18][c:19]3[c:20]([c:21]([C:23]#[N:24])[n:22]2)[n:25][cH:26][n:27]3[CH3:28])[cH:15][cH:16]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 13387N-methyl-2-pyrrolidoneHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 576575376-[4-(3-Hydroxypropoxy)-3-(trifluoromethyl)-phenyl]-1-methyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile

생성물 1

HCID 576575423-(4-(4-cyano-1-methyl-1H-imidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy)propyl methanesulfonate

출처 및 근거

ORD 기록
ord-02d85b827edb4e2ca230552a987f2cc4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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