HRID189905

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cscn1

HCID2763258

4-(Tributylstannyl)thiazole

C15H29NSSn

结构：Cc1ccccc1-n1nc2c3ccccc3n(Cc3ccc(Br)nc3)nc-2c1=O

HCID46896611

未命名化合物

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：Cc1ccccc1-n1nc2c3ccccc3n(Cc3ccc(-c4cscn4)nc3)nc-2c1=O

HCID46897012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24717601d3b641cea08d85f4a7e395d6
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]3[c:21](=[O:22])[n:20](-[c:23]4[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]4)[n:19][c:12]-3[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1.[CH2:30]([Sn:31]([CH2:32][CH2:33][CH2:34][CH3:40])([c:35]1[n:36][cH:37][s:38][cH:39]1)[CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH3:47].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cs+:49].[Cu:61][I:62].[F-:48].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[P:107]([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)([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[c:2]1(-[c:35]2[n:36][cH:37][s:38][cH:39]2)[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]3[c:21](=[O:22])[n:20](-[c:23]4[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]4)[n:19][c:12]-3[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1