HRID2311345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28486

Lithium ion

Li+

HCID53438229

未命名化合物

结构：CC(C)(C)OC(=O)NCc1cc(I)c(N)c(C(F)(F)F)c1

HCID68456058

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=Cc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1N

HCID68456886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8305eb8710fd47ca85bb5556fcf71992
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][CH2:10][c:11]1[cH:12][c:13]([I:22])[c:14]([NH2:21])[c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]1)=[O:23].[CH2:24]([CH2:25][CH2:37][CH3:38])[C:26]([Sn:27])=[C:28]([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:33][CH2:34][CH2:35][CH3:36].[Cl-:1].[Li+:2].[O:116]=[CH:117][N:118]([CH3:119])[CH3:120].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[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)[cH:114][cH:115]1>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][CH2:10][c:11]1[cH:12][c:13]([CH:24]=[CH2:25])[c:14]([NH2:21])[c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]1)=[O:23]