Formic Acid → 4-(4'-Aminoethyl-biphenyl-3-yloxy)-pyrimidine-2-carbonitrile

반응식

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

참가 물질

반응물 2

HCID 284Formic Acid

HCID 68579160{2-[3'-(2-Cyano-pyrimidin-4-yloxy)-biphenyl-4-yl]-ethyl}carbamic acid tert-butyl ester

생성물 1

HCID 159811724-(4'-Aminoethyl-biphenyl-3-yloxy)-pyrimidine-2-carbonitrile

출처 및 근거

ORD 기록: ord-622dee13d6f94dceb1461eb0bbd0d1fa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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