Acetonitrile → 4-[3-(2-Amino-phenylcarbamoyl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 7243O-Phenylenediamine

HCID 448287263-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid

생성물 1

HCID 686708464-[3-(2-Amino-phenylcarbamoyl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-7c5a07aa244342559473993fc29101ec
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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