Dichloromethane → 2-[[2-Amino-5-(4-benzhydrylpiperazin-1-yl)-5-oxopentanoyl]amino]-5-chlorobenzoic acid

반응식

[CH2:53]([Cl:54])[Cl:55].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][CH2:16][N:17]([C:20]([CH2:21][CH2:22][CH:23]([C:24](=[O:25])[NH:26][c:27]2[c:28]([C:29](=[O:30])[OH:31])[cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[NH:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])=[O:45])[CH2:18][CH2:19]1.[F:46][C:47]([F:48])([F:49])[C:50]([OH:51])=[O:52]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][CH2:16][N:17]([C:20]([CH2:21][CH2:22][CH:23]([C:24](=[O:25])[NH:26][c:27]2[c:28]([C:29](=[O:30])[OH:31])[cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[NH2:37])=[O:45])[CH2:18][CH2:19]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 25174278HCID 25174278, 화합물

생성물 1

HCID 251742792-[[2-Amino-5-(4-benzhydrylpiperazin-1-yl)-5-oxopentanoyl]amino]-5-chlorobenzoic acid

출처 및 근거

ORD 기록: ord-e519e8ce09ac4d87bcf4ac475f367a16
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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