HRID1146636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID21115800

未命名化合物

结构：CCOC(=O)c1cn(C2CC2)c2c(F)c(F)c(F)c(Br)c2c1=O

HCID22924353

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：C=Cc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)OCC)cn2C1CC1

HCID22924366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0efd2e02d1414171ad67e993e30d690b
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[c:3]2[c:4](=[O:23])[c:5]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:6][n:7]([CH:15]3[CH2:16][CH2:17]3)[c:8]2[c:9]([F:14])[c:10]([F:13])[c:11]1[F:12].[CH2:24]([CH2:25][CH2:37][CH3:38])[C:26]([SnH3:27])=[C:28]([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:33][CH2:34][CH2:35][CH3:36].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:2]1([CH:24]=[CH2:25])[c:3]2[c:4](=[O:23])[c:5]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:6][n:7]([CH:15]3[CH2:16][CH2:17]3)[c:8]2[c:9]([F:14])[c:10]([F:13])[c:11]1[F:12]