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Chloride → Ethyl 7-(4-(tert-butoxycarbonyl)phenoxy)-6-chlorochroman-4-carboxylate

HRID 90628
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HRID 90628 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:33][N:34]([CH3:35])[CH2:36][C:37]([OH:38])=[O:39].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl-:40].[Cl:15][c:16]1[cH:17][c:18]2[c:23]([cH:24][c:25]1[OH:26])[O:22][CH2:21][CH2:20][CH:19]2[C:27](=[O:28])[O:29][CH2:30][CH3:31].[ClH:32].[Cs+:45].[Cs+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[c:2]1([O:26][c:25]2[c:16]([Cl:15])[cH:17][c:18]3[c:23]([cH:24]2)[O:22][CH2:21][CH2:20][CH:19]3[C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 673N,N-DimethylglycineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2회HCID 11334366
Tert-butyl 4-bromobenzoate
HCID 53393319Ethyl-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate

생성물 1

HCID 67080248Ethyl 7-(4-(tert-butoxycarbonyl)phenoxy)-6-chlorochroman-4-carboxylate

출처 및 근거

ORD 기록
ord-d17ec6c3ca1648fa8b34a41415ce1fc7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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