HRID2123699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID24350

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

CuI

HCID90488

Ethyl 3-bromobenzoate

C9H9BrO2

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1nnn(COCc2ccccc2)n1

HCID11340561

2-[(Phenylmethoxy)methyl]-5-(tributylstannyl)-2H-tetrazole

C21H36N4OSn

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：CCOC(=O)c1cccc(-c2nnn(COCc3ccccc3)n2)c1

HCID57888757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af322810c70b4eb7b61a2dd57d910640
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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