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Acetic Acid → 8-Pyrimidin-2-ylsulfonyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one

HRID 88452
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HRID 88452 반응식
[C:14]([OH:15])(=[O:16])[CH3:17].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Ca+2:13].[Cl-:11].[Cl-:12].[Cl:48][CH2:49][Cl:50].[Cl:8][O-:9].[ClH:51].[F:18][C:19]([O:20][c:21]1[cH:22][cH:23][c:24]([N:27]2[C:28](=[O:37])[C:29]3([CH2:30][CH2:31]2)[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]3)[cH:25][cH:26]1)([F:38])[F:39].[Na+:10].[OH2:47].[SH:1][c:2]1[n:3][cH:4][cH:5][cH:6][n:7]1>>[S:1]([c:2]1[n:3][cH:4][cH:5][cH:6][n:7]1)(=[O:16])([N:34]1[CH2:33][CH2:32][C:29]2([C:28](=[O:37])[N:27]([c:24]3[cH:23][cH:22][c:21]([O:20][C:19]([F:18])([F:38])[F:39])[cH:26][cH:25]3)[CH2:31][CH2:30]2)[CH2:36][CH2:35]1)=[O:47]
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 176Acetic AcidHCID 271Calcium CationHCID 312Chloride2회HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 962WaterHCID 6344DichloromethaneHCID 8471Triethylamine
HCID 61739
Hypochlorite
HCID 667427592-(4-(Trifluoromethoxy)phenyl)-2,8-diazaspiro[4.5]decan-1-one
HCID 178418793HCID 178418793, 화합물

생성물 1

HCID 595780168-Pyrimidin-2-ylsulfonyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one

출처 및 근거

ORD 기록
ord-e4808fb9b881470e82cbf65d7b23cba0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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