Methanol → N-(4-(3-amino-4-(methylamino)phenoxy)pyridin-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 5352425Lead

HCID 69005645N-(4-(4-(methylamino)-3-nitrophenoxy)pyridin-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide

생성물 1

HCID 69007913N-(4-(3-amino-4-(methylamino)phenoxy)pyridin-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide

출처 및 근거

ORD 기록: ord-0c3d3b385af44992bf939e33db4f624c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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