HRID88507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID795

Imidazole

C3H4N2

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID24350

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

CuI

HCID551074

N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2

结构：Cc1ccccc1-n1nc2c3ccccc3n(Cc3ccc(Br)nc3)nc-2c1=O

HCID46896611

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-n1nc2c3ccccc3n(Cc3ccc(-n4ccnc4)nc3)nc-2c1=O

HCID46896612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3414aae0acb340dc896ed463d362e390
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:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]3[c:21](=[O:22])[n:20](-[c:23]4[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]4)[n:19][c:12]-3[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1.[CH3:35][NH:36][CH:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH:42]1[NH:43][CH3:44].[CH3:53][S:54](=[O:55])[CH3:56].[Cu:57][I:58].[K+:50].[K+:51].[K+:52].[OH2:59].[P:45]([O-:46])([O-:47])([O-:48])=[O:49].[nH:30]1[cH:31][n:32][cH:33][cH:34]1>>[c:2]1(-[n:30]2[cH:31][n:32][cH:33][cH:34]2)[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]3[c:21](=[O:22])[n:20](-[c:23]4[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]4)[n:19][c:12]-3[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1