HRID1118515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

2 次

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1ccc(Cn2ncc3c(N4CCN(C(=O)OC(C)(C)C)CC4)c(Br)cnc32)cc1

HCID68760849

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

HCID178477795

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2ncc3c(N4CCN(C(=O)OC(C)(C)C)CC4)c(C)cnc32)cc1

HCID68762104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13ccb39148f6475792cabca3f9b06ee2
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:4][c:5]1[c:6]([N:23]2[CH2:24][CH2:25][N:26]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:27][CH2:28]2)[c:7]2[c:8]([n:9][cH:10]1)[n:11]([CH2:14][c:15]1[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1)[n:12][cH:13]2.[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:2][Zn+:3].[Cl-:1].[Cl-:36].[NH4+:37].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([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)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([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)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([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)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[CH3:2][c:5]1[c:6]([N:23]2[CH2:24][CH2:25][N:26]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:27][CH2:28]2)[c:7]2[c:8]([n:9][cH:10]1)[n:11]([CH2:14][c:15]1[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1)[n:12][cH:13]2