Dichloromethane → 4-(6-Cyano-4-(methoxycarbonyl)-chroman-7-yloxy)benzoic acid

HRID 203326

반응식

HRID 203326 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([O:12][c:13]2[c:14]([C:27]#[N:28])[cH:15][c:16]3[c:21]([cH:22]2)[O:20][CH2:19][CH2:18][CH:17]3[C:23](=[O:24])[O:25][CH3:26])[cH:29][cH:30]1.[Cl:38][CH2:39][Cl:40].[F:31][C:32]([F:33])([F:34])[C:35]([OH:36])=[O:37]>>[O:5]=[C:6]([OH:7])[c:8]1[cH:9][cH:10][c:11]([O:12][c:13]2[c:14]([C:27]#[N:28])[cH:15][c:16]3[c:21]([cH:22]2)[O:20][CH2:19][CH2:18][CH:17]3[C:23](=[O:24])[O:25][CH3:26])[cH:29][cH:30]1

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 67080240Methyl 7-(4-(tert-butoxycarbonyl)phenoxy)-6-cyanochroman-4-carboxylate

생성물 1

HCID 462211084-(6-Cyano-4-(methoxycarbonyl)-chroman-7-yloxy)benzoic acid

출처 및 근거

ORD 기록
ord-904721fca0814d8fbff922be0e94ed88
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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