HRID120622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID24350

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

CuI

HCID2736434

2-Bromo-5-(trifluoromethyl)pyridine

C6H3BrF3N

结构：CCOC(=O)c1c(Cl)c2cc(Br)ccc2n1-c1ccc(OC(C)C)cc1

HCID68696654

未命名化合物

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(Cl)c2cc(-c3ccc(C(F)(F)F)cn3)ccc2n1-c1ccc(OC(C)C)cc1

HCID68475103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-560d6b99bfda4310b50866e30bd88512
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:6][c:7]1[n:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1.[C:1]([Li:2])([CH3:3])([CH3:4])[CH3:5].[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[c:22]1[n:23](-[c:33]2[cH:34][cH:35][c:36]([O:39][CH:40]([CH3:41])[CH3:42])[cH:37][cH:38]2)[c:24]2[cH:25][cH:26][c:27]([Br:32])[cH:28][c:29]2[c:30]1[Cl:31].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[CH3:53][N:54]1[CH2:55][CH2:56][CH2:57][C:58]1=[O:59].[Cl-:43].[ClH:45].[Cu:51][I:52].[NH4+:44]>>[c:7]1(-[c:27]2[cH:26][cH:25][c:24]3[n:23](-[c:33]4[cH:34][cH:35][c:36]([O:39][CH:40]([CH3:41])[CH3:42])[cH:37][cH:38]4)[c:22]([C:20]([O:19][CH2:17][CH3:18])=[O:21])[c:30]([Cl:31])[c:29]3[cH:28]2)[n:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1