HRID681632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID10553

2-Methyl-2-butene

C5H10

HCID25134

Boron tribromide

BBr3

结构：COc1ccc2c3c(ccc2c1)-c1ccc(F)cc1SC3c1ccc(OCCN2CCCCC2)cc1

HCID11454822

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Oc1ccc2c3c(ccc2c1)-c1ccc(F)cc1SC3c1ccc(OCCN2CCCCC2)cc1

HCID67004823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af93bd96ec7b4ef6a2cb722466fe9386
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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