HRID209666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

5 次

HCID1088

N-Methylglycine

C3H7NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

结构：O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-]

HCID3440921

Triphosphate

O10P3-5

HCID15765418

Cyclopropanesulfonamide

C3H7NO2S

结构：CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(I)ccc3N2)c(O)c2cccn21

HCID178446170

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)C4CC4)ccc3N2)c(O)c2cccn21

HCID178446177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cba45b5b6de48ada0346d9d6c70e22b
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

[CH3:48][NH:49][CH2:50][C:51](=[O:52])[OH:53].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH:54]1([S:57](=[O:58])(=[O:59])[NH2:60])[CH2:55][CH2:56]1.[Cu:61][I:62].[K+:43].[K+:44].[K+:45].[K+:46].[K+:47].[O-:30][P:31]([O:32][P:33]([O:34][P:35]([O-:36])([O-:37])=[O:38])([O-:39])=[O:40])(=[O:41])[O-:42].[OH:1][c:2]1[c:3]2[n:4]([n:5]([CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[c:6](=[O:21])[c:7]1[C:8]1=[N:9][S:10](=[O:19])(=[O:20])[c:11]3[c:12]([cH:14][cH:15][c:16]([I:18])[cH:17]3)[NH:13]1)[cH:27][cH:28][cH:29]2>>[OH:1][c:2]1[c:3]2[n:4]([n:5]([CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[c:6](=[O:21])[c:7]1[C:8]1=[N:9][S:10](=[O:19])(=[O:20])[c:11]3[c:12]([cH:14][cH:15][c:16]([NH:60][S:57]([CH:54]4[CH2:55][CH2:56]4)(=[O:58])=[O:59])[cH:17]3)[NH:13]1)[cH:27][cH:28][cH:29]2