Acetone → 4-[(4,5-dihydro-2-thiazolyl)amino]tetrahydro-3,5-bis(phenylmethylene)-2H-thiopyran-4-ol

HRID 1126940

반응식

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

참가 물질

반응물 3

HCID 180Acetone

HCID 156894,5-Dihydro-2-thiazolamine

HCID 336779tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one

생성물 1

HCID 543093604-[(4,5-dihydro-2-thiazolyl)amino]tetrahydro-3,5-bis(phenylmethylene)-2H-thiopyran-4-ol

출처 및 근거

ORD 기록: ord-4bd1f2bac5714967bd0de60200c5cd23
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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