HRID167657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

结构：O=c1[nH]c(=O)n(CCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)cc1I

HCID71018565

未命名化合物

HCID178506239

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c(=O)n(CCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)cc1-n1ccc(C(F)(F)F)n1

HCID178518748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-279e9682d7754a1b966794848104dc40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:29][N:30]([CH2:31][C:32](=[O:33])[OH:34])[CH3:35].[CH3:51][S:52](=[O:53])[CH3:54].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[Cu:61][I:62].[F:42][C:43]([c:44]1[n:45][nH:46][cH:47][cH:48]1)([F:49])[F:50].[I:1][c:2]1[c:3](=[O:28])[nH:4][c:5](=[O:27])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([c:17]4[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]4)[CH2:14][CH:15]3[CH2:16]2)[cH:7]1.[K+:36].[K+:37].[O-:38][C:39]([O-:40])=[O:41]>>[c:2]1(-[n:46]2[n:45][c:44]([C:43]([F:42])([F:49])[F:50])[cH:48][cH:47]2)[c:3](=[O:28])[nH:4][c:5](=[O:27])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([c:17]4[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]4)[CH2:14][CH:15]3[CH2:16]2)[cH:7]1