Ethyl Acetate → 5-Chloro-1H-indole-2-carboxylic acid [1-(3-morpholin-4-yl-propylcarbamoyl)-2-phenyl-ethyl]-amide

반응식

[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[Cl:11][c:12]1[cH:13][c:14]2[cH:15][c:16]([C:21](=[O:22])[NH:23][CH:24]([C:25](=[O:26])[OH:27])[CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[nH:17][c:18]2[cH:19][cH:20]1.[NH2:1][CH2:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][O:8][CH2:9][CH2:10]1>>[NH:1]([CH2:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][O:8][CH2:9][CH2:10]1)[C:25]([CH:24]([NH:23][C:21]([c:16]1[cH:15][c:14]2[cH:13][c:12]([Cl:11])[cH:20][cH:19][c:18]2[nH:17]1)=[O:22])[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)=[O:26]

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 61055N-(3-Aminopropyl)morpholine

HCID 155210162-[(5-Chloro-1H-indole-2-carbonyl)-amino]-3-phenyl-propionic acid

생성물 1

HCID 545466415-Chloro-1H-indole-2-carboxylic acid [1-(3-morpholin-4-yl-propylcarbamoyl)-2-phenyl-ethyl]-amide

출처 및 근거

ORD 기록: ord-44b68051cf2e4e3383291e2db2e7da7c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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