HRID1238504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID5964

Benzyltrimethylammonium

C10H16N+

HCID8028

Tetrahydrofuran

C4H8O

HCID10593815

Ethyl Di-o-tolylphosphonoacetate

C18H21O5P

结构：O=Cc1cc2ccccc2n1S(=O)(=O)c1ccc(Br)cc1

HCID44210807

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1cc2ccccc2n1S(=O)(=O)c1ccc(Br)cc1

HCID77250643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db57665cc0014f558eca06bd7fc6ba81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:39][c:40]1[cH:41][cH:42][c:43]([S:46](=[O:47])(=[O:48])[n:49]2[c:50]([CH:58]=[O:59])[cH:51][c:52]3[cH:53][cH:54][cH:55][cH:56][c:57]23)[cH:44][cH:45]1.[CH2:28]([N+:29]([CH3:30])([CH3:31])[CH3:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:25][OH:26].[Cl-:61].[Na+:60].[OH-:27].[c:1]1([CH3:2])[cH:3][cH:4][cH:5][cH:6][c:7]1[O:8][P:9]([O:10][c:11]1[cH:12][cH:13][cH:14][cH:15][c:16]1[CH3:17])([CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])=[O:24]>>[CH:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])=[CH:28][c:50]1[n:49]([S:46]([c:43]2[cH:42][cH:41][c:40]([Br:39])[cH:45][cH:44]2)(=[O:47])=[O:48])[c:57]2[c:52]([cH:51]1)[cH:53][cH:54][cH:55][cH:56]2