HRID90396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID92342

Pyridine, 2-chloro-5-(trifluoromethyl)-

C6H3ClF3N

HCID53435142

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：CC(C)OC(=O)c1ccccc1-c1ccc(C(F)(F)F)cn1

HCID69891295

1-Methylethyl 2-[5-(trifluoromethyl)-2-pyridinyl]benzoate

C16H14F3NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06db46463df34a549caf9abc3aa1e02f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[c:7]1[c:8]([B:13]([OH:14])[OH:15])[cH:9][cH:10][cH:11][cH:12]1.[Cl:16][c:17]1[n:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]1.[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[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)[cH:109][cH:110]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[c:7]1[c:8](-[c:17]2[n:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[cH:9][cH:10][cH:11][cH:12]1