HRID1133851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID24350

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

CuI

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID610436

6-Bromophthalazine

C8H5BrN2

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cnc(NC(=O)OC(C)(C)C)s1

HCID2763269

tert-Butyl [5-(tributylstannyl)-1,3-thiazol-2-yl]carbamate

C20H38N2O2SSn

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ncc(-c2ccc3cnncc3c2)s1

HCID57633940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9951bcbca214736980a406035a6152d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7][cH:8][c:9]2[cH:10][cH:11]1.[CH2:12]([Sn:13]([CH2:14][CH2:15][CH2:16][CH3:30])([c:17]1[cH:18][n:19][c:20]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[s:21]1)[CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH3:37].[Cl:45][CH2:46][Cl:47].[Cs+:44].[Cu:49][I:50].[F-:43].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:48].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1(-[c:17]2[cH:18][n:19][c:20]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[s:21]2)[cH:3][c:4]2[cH:5][n:6][n:7][cH:8][c:9]2[cH:10][cH:11]1