HRID1145468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

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

HCID178448252

未命名化合物

结构：CC(=O)OCC1CC(n2cnc3c(Cl)ncnc32)C2OC(C)(C)OC12

HCID178475868

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1CC(n2cnc3c(CC(C)C)ncnc32)C2OC(C)(C)OC12

HCID178475867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-470e29f8f0704f7b9f09c54c3aa60aab
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-:26].[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]1[CH2:7][CH:8]([n:16]2[c:17]3[n:18][cH:19][n:20][c:21]([Cl:25])[c:22]3[n:23][cH:24]2)[CH:9]2[O:10][C:11]([CH3:14])([CH3:15])[O:12][CH:13]12.[CH2:27]([CH:28]([CH3:29])[CH3:30])[Zn+:31].[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[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)[cH:112][cH:113]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]1[CH2:7][CH:8]([n:16]2[c:17]3[n:18][cH:19][n:20][c:21]([CH2:27][CH:28]([CH3:29])[CH3:30])[c:22]3[n:23][cH:24]2)[CH:9]2[O:10][C:11]([CH3:14])([CH3:15])[O:12][CH:13]12