HRID2320296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID32051

Zinc (II) cation

Zn+2

结构：CC(C)(C)OC(=O)NCCCn1c(=O)c(Br)cn(Cc2ccccc2)c1=O

HCID15550160

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

HCID178506676

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCn1c(=O)c(-c2ccccc2)cn(Cc2ccccc2)c1=O

HCID15550161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2ffbcfbed5542e5a000a04018a2deec
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:115](=[O:116])([OH:117])[O-:118].[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[NH:15][CH2:16][CH2:17][CH2:18][n:19]1[c:20](=[O:34])[n:21]([CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:22][c:23]([Br:26])[c:24]1=[O:25].[Cl-:35].[Cl-:37].[Li:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[Na+:119].[Zn+2:36].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([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)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[c:2]1(-[c:23]2[cH:22][n:21]([CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:20](=[O:34])[n:19]([CH2:18][CH2:17][CH2:16][NH:15][C:13]([O:12][C:8]([CH3:9])([CH3:10])[CH3:11])=[O:14])[c:24]2=[O:25])[cH:3][cH:4][cH:5][cH:6][cH:7]1