HRID1555259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7764

Ethyl cyanoacetate

C5H7NO2

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID166653

Hydride

H-

结构：O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1Cc2ccc(C(F)(F)F)nc2Nc2ccc(I)cc21

HCID59618731

未命名化合物

PRODUCTS

生成物

结构：N#CCc1ccc2c(c1)N(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)Cc1ccc(C(F)(F)F)nc1N2

HCID86649045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08b2c097cd0d40d79fdd3a068ebd144e
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:3](#[N:4])[CH2:5][C:6]([O:7][CH2:8][CH3:9])=[O:10].[CH3:47][S:48]([CH3:49])=[O:50].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cu:51][I:52].[H-:2].[I:11][c:12]1[cH:13][cH:14][c:15]2[c:16]([cH:44]1)[N:17]([S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([O:39][C:40]([F:41])([F:42])[F:43])[cH:37][cH:38]1)[CH2:18][c:19]1[c:20]([n:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]1)[NH:21]2.[Na+:1].[Na+:46].[OH-:45].[OH2:53]>>[C:3](#[N:4])[CH2:5][c:12]1[cH:13][cH:14][c:15]2[c:16]([cH:44]1)[N:17]([S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([O:39][C:40]([F:41])([F:42])[F:43])[cH:37][cH:38]1)[CH2:18][c:19]1[c:20]([n:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]1)[NH:21]2