HRID2343481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID30165

Iodide ion

I-

结构：c1ccc([P+](CC2CCOCC2)(c2ccccc2)c2ccccc2)cc1

HCID21094224

未命名化合物

HCID59570898

Ethyl 3-bromo-4-(cyclopropylthio)-α-oxobenzeneacetate

C13H13BrO3S

PRODUCTS

生成物

结构：CCOC(=O)C(=CC1CCOCC1)c1ccc(SC2CC2)c(Br)c1

HCID68671827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89d13e3b36914d019f0d6f18c8827174
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

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