HRID1567689

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(OCc2ccccc2)c2[nH]c(=O)sc12

HCID69321983

7-Acetyl-4-(phenylmethoxy)-2(3H)-benzothiazolone

C16H13NO3S

PRODUCTS

生成物

结构：O=C(CBr)c1ccc(OCc2ccccc2)c2[nH]c(=O)sc12

HCID85939637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2371b0a1b710443eaee4a83ed3792eea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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