Ammonia → 2'-amino-6-bromo-2-phenyl-1'-(2,2,2-trifluoroethyl)spiro[chroman-4,4'-imidazol]-5'(1'H)-one

반응식

[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][CH:7]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH2:6][C:5]21[N:18]=[C:19]([S:28][CH2:29][C:30]([F:31])([F:32])[F:33])[N:20]([CH2:23][C:24]([F:25])([F:26])[F:27])[C:21]1=[O:22].[CH3:35][CH2:36][OH:37].[NH3:34]>>[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][CH:7]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH2:6][C:5]21[N:18]=[C:19]([NH2:34])[N:20]([CH2:23][C:24]([F:25])([F:26])[F:27])[C:21]1=[O:22]

참가 물질

반응물 3

HCID 222Ammonia

HCID 702Ethanol

HCID 86657446HCID 86657446, 화합물

생성물 1

HCID 584246322'-amino-6-bromo-2-phenyl-1'-(2,2,2-trifluoroethyl)spiro[chroman-4,4'-imidazol]-5'(1'H)-one

출처 및 근거

ORD 기록: ord-428b15de751e4ee395282679797ccefb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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