Dichloromethane → Trifluoroacetic acid

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86616403(+/-)-Tert-butyl(2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[c]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-3-yl)carbamate

생성물 2

HCID 6422Trifluoroacetic acid

HCID 57974077(+/-)-3-amino-5,7-dihydrospiro[cyclopenta[c]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one

출처 및 근거

ORD 기록: ord-572ee3a16fcb4854b25d7d4cd51570fc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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