HRID185438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1923

8-Hydroxyquinoline

C9H7NO

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID66037

4-Bromothioanisole

C7H7BrS

结构：O=C(OCc1ccccc1)N1CCC(Oc2cc[nH]c(=O)c2)CC1

HCID67366192

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(-n2ccc(OC3CCN(C(=O)OCc4ccccc4)CC3)cc2=O)cc1

HCID67368480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-650a3648dcff409ca518be516fd8dd53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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