HRID2132784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID223

Ammonia ion (NH4+)

H4N+

HCID280

Carbon dioxide

CO2

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

结构：O=C(Cl)C(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl

HCID22557320

未命名化合物

HCID178418348

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl

HCID23035203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d15633dde0b44b1a8ff2151bd73888f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:5](=[O:6])=[O:7].[CH3:1][C:2](=[O:3])[CH3:4].[Cl-:37].[Cl:10][c:11]1[c:12]([CH:26]([C:27](=[O:28])[Cl:29])[c:30]2[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[c:13]([Cl:25])[cH:14][c:15](-[n:17]2[n:18][cH:19][c:20](=[O:24])[nH:21][c:22]2=[O:23])[cH:16]1.[Cu:45][I:46].[Li:8][CH3:9].[NH4+:38].[O:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:44]>>[CH3:1][C:27]([CH:26]([c:12]1[c:11]([Cl:10])[cH:16][c:15](-[n:17]2[n:18][cH:19][c:20](=[O:24])[nH:21][c:22]2=[O:23])[cH:14][c:13]1[Cl:25])[c:30]1[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]1)=[O:28]