HRID2342448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：c1ccc([P+]2(c3ccccc3)Cc3ccc4ccccc4c3-c3c(ccc4ccccc34)C2)cc1

HCID11006090

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2ccccc2c1-c1c(CP(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12

HCID15789220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b22215a3469344aaad3b71a4681da4b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br-:1].[CH3:39][CH2:40][OH:41].[Na+:38].[OH-:37].[c:2]1([P+:8]2([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH2:9][c:10]3[c:11]([c:23]4[cH:24][cH:25][cH:26][cH:27][c:28]4[cH:29][cH:30]3)-[c:12]3[c:13]([cH:15][cH:16][c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]34)[CH2:14]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([P:8]([CH2:9][c:10]2[c:11](-[c:12]3[c:13]([CH3:14])[cH:15][cH:16][c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]34)[c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]3[cH:29][cH:30]2)([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])[cH:3][cH:4][cH:5][cH:6][cH:7]1