HRID814044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID23642

Benzenethiol, 2-methoxy-

C7H8OS

HCID24350

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

CuI

HCID4574913

未命名化合物

反应SMILES：CN1CCN(c2ccc(Nc3ncc4ccc(Br)n4n3)cc2)CC1

HCID66711200

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccccc1Sc1ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nn12

HCID66711246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5d8892f74d65432cbbbb67aa53319d38
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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