HRID690401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID15914

Phenyltrimethylammonium

C9H14N+

3 次

结构：CC(=O)c1ccc(OC(=O)OCc2ccccc2)c2[nH]c(=O)sc12

HCID69315691

未命名化合物

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)Oc1ccc(C(=O)CBr)c2sc(=O)[nH]c12

HCID86605116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ffe641a816d43f39d241cca3fc7a19e
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

[Br-:25].[Br-:26].[Br-:27].[C:1]([O:2][c:3]1[cH:4][cH:5][c:6]([C:13]([CH3:14])=[O:15])[c:7]2[c:8]1[nH:9][c:10](=[O:12])[s:11]2)([O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24].[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[OH2:63].[c:28]1([N+:29]([CH3:30])([CH3:31])[CH3:32])[cH:33][cH:34][cH:35][cH:36][cH:37]1.[c:38]1([N+:39]([CH3:40])([CH3:41])[CH3:42])[cH:43][cH:44][cH:45][cH:46][cH:47]1.[c:48]1([N+:49]([CH3:50])([CH3:51])[CH3:52])[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[C:1]([O:2][c:3]1[cH:4][cH:5][c:6]([C:13]([CH2:14][Br:25])=[O:15])[c:7]2[c:8]1[nH:9][c:10](=[O:12])[s:11]2)([O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24]