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Bromide ion → 5,6-Dihydro-6-hydroxy-5,5-dimethyl-7-(4-nitrobenzamido)-7H-thieno[3,2-b]pyran

HRID 184834
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HRID 184834 반응식
[Br-:46].[Br:1][CH:2]1[C:3]([CH3:4])([CH3:5])[O:6][c:7]2[cH:8][cH:9][s:10][c:11]2[CH:12]1[OH:13].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[H-:26].[K+:47].[N+:14](=[O:15])([O-:16])[c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[NH2:23])[cH:24][cH:25]1.[Na+:27].[OH2:53].[OH:28][CH:29]1[CH:30]([N:40]2[CH2:41][CH2:42][CH2:43][C:44]2=[O:45])[c:31]2[c:32]([cH:37][cH:38][s:39]2)[O:33][C:34]1([CH3:35])[CH3:36]>>[N+:14](=[O:15])([O-:16])[c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[NH:23][CH:30]2[CH:29]([OH:28])[C:34]([CH3:35])([CH3:36])[O:33][c:32]3[c:31]2[s:39][cH:38][cH:37]3)[cH:24][cH:25]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 259Bromide ionHCID 813Potassium CationHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 120914-NitrobenzamideHCID 166653Hydride
HCID 9903464
5,6-Dihydro-6-hydroxy-5,5-dimethyl-7-(2-oxopyrrolidin-1-yl)-7H-thieno[3,2-b]pyran
HCID 149864866-bromo-5,6-dihydro-7-hydroxy-5,5-dimethyl-7H-thieno[3,2-b]pyran

생성물 1

HCID 149864905,6-Dihydro-6-hydroxy-5,5-dimethyl-7-(4-nitrobenzamido)-7H-thieno[3,2-b]pyran

출처 및 근거

ORD 기록
ord-52695b9667b24a6ca9a499f4b8c86d25
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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