1,2,3-Trimethoxy-5-(prop-2-yn-1-yl)benzene → 5-[3-(3,4,5-Trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine

반응식

[CH3:10][O:11][c:12]1[c:13]([O:23][CH3:24])[c:14]([O:21][CH3:22])[cH:15][c:16]([CH2:18][C:19]#[CH:20])[cH:17]1.[NH2:1][c:2]1[n:3][cH:4][c:5]([I:9])[c:6]([NH2:8])[n:7]1>>[NH2:1][c:2]1[n:3][cH:4][c:5]([C:20]#[C:19][CH2:18][c:16]2[cH:15][c:14]([O:21][CH3:22])[c:13]([O:23][CH3:24])[c:12]([O:11][CH3:10])[cH:17]2)[c:6]([NH2:8])[n:7]1

참가 물질

반응물 2

HCID 152856211,2,3-Trimethoxy-5-(prop-2-yn-1-yl)benzene

HCID 161103355-Iodopyrimidine-2,4-diamine

생성물 1

HCID 161103235-[3-(3,4,5-Trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine

출처 및 근거

ORD 기록: ord-52491700232b4c129e5f1197fba4b9b7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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