HRID98825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID32051

Zinc (II) cation

Zn+2

HCID142858

1-(2-Chlorophenyl)imidazole

C9H7ClN2

HCID58204419

Methyl 2-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-10-carboxylate

C13H11IN2O3

HCID178418339

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：COC(=O)c1ccc2c(c1)-c1nc(-c3nccn3-c3ccccc3Cl)cn1CCO2

HCID58204585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-998baacb31f245d3aafe1118001dbd62
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

[CH2:13]([Li:14])[CH2:15][CH2:16][CH3:17].[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[Cl-:54].[Cl-:55].[Cl:1][c:2]1[c:3](-[n:8]2[cH:9][n:10][cH:11][cH:12]2)[cH:4][cH:5][cH:6][cH:7]1.[I:18][c:19]1[n:20][c:21]2[n:22]([cH:36]1)[CH2:23][CH2:24][O:25][c:26]1[c:27]-2[cH:28][c:29]([C:32](=[O:33])[O:34][CH3:35])[cH:30][cH:31]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[Zn+2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([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)[P:101]([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)[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)[cH:132][cH:133]1>>[Cl:1][c:2]1[c:3](-[n:8]2[c:9](-[c:19]3[n:20][c:21]4[n:22]([cH:36]3)[CH2:23][CH2:24][O:25][c:26]3[c:27]-4[cH:28][c:29]([C:32](=[O:33])[O:34][CH3:35])[cH:30][cH:31]3)[n:10][cH:11][cH:12]2)[cH:4][cH:5][cH:6][cH:7]1