HRID1546101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID12081

Benzoic acid, 4-bromo-, methyl ester

C8H7BrO2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID104967

Cesium(1+)

Cs+

2 次

结构：Oc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccccc2)cc1

HCID136393280

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Oc2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)cc2)cc1

HCID67021156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1462a156d77e44098681974d4a695bbe
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

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