Ethanol → N-{4-[4-Cyanomethoxy-2-(7-methyl-[1,8]naphthyridin-4-ylamino)-phenylsulfanyl]-phenyl}-acetamide

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 122663725-Chloro-2-methyl-1,8-naphthyridine

HCID 67249992N-[4-(2-Amino-4-cyanomethoxy-phenylsulfanyl)-phenyl]-acetamide

생성물 1

HCID 67249372N-{4-[4-Cyanomethoxy-2-(7-methyl-[1,8]naphthyridin-4-ylamino)-phenylsulfanyl]-phenyl}-acetamide

출처 및 근거

ORD 기록: ord-863c38efbf3b421a85556c90c75687b1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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