Water → N-((7-Trifluoromethyl-4-hydroxy-2-oxo-2',3',5',6'-tetrahydro-spiro[naphthalene-1,4'-pyran]-3-yl)carbonyl)glycine

반응식

[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:11]([cH:12]1)[C:10]1([C:9](=[O:18])[C:8]([C:19](=[O:20])[NH:21][CH2:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[C:7]2[OH:30])[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1)([F:31])[F:32].[F:33][C:34]([F:35])([F:36])[C:37]([OH:38])=[O:39].[OH2:40]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:11]([cH:12]1)[C:10]1([C:9](=[O:18])[C:8]([C:19](=[O:20])[NH:21][CH2:22][C:23](=[O:24])[OH:25])=[C:7]2[OH:30])[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1)([F:31])[F:32]

참가 물질

반응물 3

HCID 962Water

HCID 6422Trifluoroacetic acid

HCID 67099725HCID 67099725, 화합물

생성물 1

HCID 57983367N-((7-Trifluoromethyl-4-hydroxy-2-oxo-2',3',5',6'-tetrahydro-spiro[naphthalene-1,4'-pyran]-3-yl)carbonyl)glycine

출처 및 근거

ORD 기록: ord-9ef0100a53f94104bc6212c9862cd264
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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