HRID291764

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

HCID1048

Pyrazole

C3H4N2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID83717

Copper iodide (CuI2)

CuI2

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

HCID71018565

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-n1cccn1

HCID178518749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f5f2067e6264b2489595fa81599ca66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:34][N:35]([CH2:36][C:37](=[O:38])[OH:39])[CH3:40].[CH3:47][S:48](=[O:49])[CH3:50].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cu:57]([I:58])[I:59].[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+:41].[K+:42].[O-:43][C:44]([O-:45])=[O:46].[nH:29]1[n:30][cH:31][cH:32][cH:33]1>>[c:2]1(-[n:29]2[n:30][cH:31][cH:32][cH:33]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