Dichloromethane → 2-(4-{3-[1-(3,4-Dimethyl-benzyl)-2-oxo-imidazolidin-4-yl]-propyl]-phenoxy}-2-methyl-propionic acid

HRID 1122885

반응식

HRID 1122885 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[O:10][c:11]1[cH:12][cH:13][c:14]([CH2:17][CH2:18][CH2:19][CH:20]2[NH:21][C:22](=[O:34])[N:23]([CH2:25][c:26]3[cH:27][c:28]([CH3:33])[c:29]([CH3:32])[cH:30][cH:31]3)[CH2:24]2)[cH:15][cH:16]1)=[O:35].[Cl:43][CH2:44][Cl:45].[OH:36][C:37]([C:38]([F:39])([F:40])[F:41])=[O:42]>>[O:5]=[C:6]([C:7]([CH3:8])([CH3:9])[O:10][c:11]1[cH:12][cH:13][c:14]([CH2:17][CH2:18][CH2:19][CH:20]2[NH:21][C:22](=[O:34])[N:23]([CH2:25][c:26]3[cH:27][c:28]([CH3:33])[c:29]([CH3:32])[cH:30][cH:31]3)[CH2:24]2)[cH:15][cH:16]1)[OH:35]

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 577188972-(4-{3-[1-(3,4-Dimethyl-benzyl)-2-oxo-imidazolidin-4-yl]-propyl}-phenoxy)-2-methyl-propionic acid tert-butyl ester

생성물 1

HCID 577189002-(4-{3-[1-(3,4-Dimethyl-benzyl)-2-oxo-imidazolidin-4-yl]-propyl]-phenoxy}-2-methyl-propionic acid

출처 및 근거

ORD 기록
ord-6e6202dccf794a3d83c483cbce12ceae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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