HRID164531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID549976

1-Hydroxy-2,2,6,6-tetramethylpiperidine

C9H19NO

结构：O=C1c2cc3c(cc2CCC1Br)-c1ccc(C(O)CBr)cc1CO3

HCID86688373

9-Bromo-3-(2-bromo-1-hydroxyethyl)-10,11-dihydro-5H-benzo[d]naphtho[2,3-b]pyran-8(9H)-one

C19H16Br2O3

PRODUCTS

生成物

结构：O=C(CBr)c1ccc2c(c1)COc1cc3c(cc1-2)CCC(Br)C3=O

HCID86688372

5H-Benzo[d]naphtho[2,3-b]pyran-8(9H)-one, 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-

C19H14Br2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcf1a7c4ce974dbf9fc9f2bbb2849dd9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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