HRID804469

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6386

tert-Butyl alcohol

C4H10O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：O=C(O)c1cc(OCc2ccccc2)c(Br)c(OCc2ccccc2)c1

HCID10024710

3,5-Bis(benzyloxy)-4-bromobenzoic acid

C21H17BrO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1cc(OCc2ccccc2)c(Br)c(OCc2ccccc2)c1

HCID10389923

tert-Butyl 3,5-bis(benzyloxy)-4-bromobenzoate

C25H25BrO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7079abc7b2e64f30b92c71a3fed692a5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:27]([n:28]1[cH:29][cH:30][n:31][cH:32]1)([n:33]1[cH:34][cH:35][n:36][cH:37]1)=[O:38].[C:39]([CH3:40])([CH3:41])([CH3:42])[OH:43].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][c:16]([O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:17]1[Br:18].[CH2:44]1[CH2:45][CH2:46][C:47]2=[N:52][CH2:51][CH2:50][CH2:49][N:48]2[CH2:53][CH2:54]1.[ClH:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12]([O:13][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:14])[cH:15][c:16]([O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:17]1[Br:18]