HRID680472

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

HCID8857

Ethyl acetate

C4H8O2

HCID23978

Copper

HCID24350

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

CuI

HCID97632

Methanesulfonamide, N-methyl-

C2H7NO2S

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

HCID3440921

Triphosphate

O10P3-5

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

HCID178444709

未命名化合物

PRODUCTS

生成物

结构：CN(c1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cccn3n(CCC(C)(C)C)c1=O)N2)S(C)(=O)=O

HCID178482064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ee0bb312ef145c5a14c066918bef7b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][C:2]([CH2:3][CH2:4][n:5]1[n:6]2[c:7]([c:8]([OH:25])[c:9]([C:12]3=[N:13][S:14](=[O:23])(=[O:24])[c:15]4[c:16]([cH:18][cH:19][c:20]([I:22])[cH:21]4)[NH:17]3)[c:10]1=[O:11])[cH:26][cH:27][cH:28]2)([CH3:29])[CH3:30].[CH3:49][NH:50][CH2:51][C:52](=[O:53])[OH:54].[CH3:55][NH:56][S:57](=[O:58])(=[O:59])[CH3:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[Cu:67].[Cu:68][I:69].[K+:44].[K+:45].[K+:46].[K+:47].[K+:48].[O-:31][P:32]([O:33][P:34]([O:35][P:36]([O-:37])([O-:38])=[O:39])([O-:40])=[O:41])(=[O:42])[O-:43]>>[CH3:1][C:2]([CH2:3][CH2:4][n:5]1[n:6]2[c:7]([c:8]([OH:25])[c:9]([C:12]3=[N:13][S:14](=[O:23])(=[O:24])[c:15]4[c:16]([cH:18][cH:19][c:20]([N:56]([CH3:55])[S:57](=[O:58])(=[O:59])[CH3:60])[cH:21]4)[NH:17]3)[c:10]1=[O:11])[cH:26][cH:27][cH:28]2)([CH3:29])[CH3:30]