HRID157899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(O)cc2)c2ccccc21

HCID21092910

未命名化合物

HCID53411572

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCCC1COc1ccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(Cl)cc3)CC2C)cc1

HCID178497429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16ad7cd9d5774f5cabaf1caf5630599f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH:6]([CH2:10][OH:11])[CH2:7][CH2:8][CH2:9]1.[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[Cl:31][c:32]1[cH:33][cH:34][c:35]([N:38]([C:39]([CH3:40])=[O:41])[CH:42]2[CH2:43][CH:44]([CH3:61])[N:45]([C:52]([c:53]3[cH:54][cH:55][c:56]([OH:59])[cH:57][cH:58]3)=[O:60])[c:46]3[cH:47][cH:48][cH:49][cH:50][c:51]32)[cH:36][cH:37]1.[O:62]=[C:63]([O:64][CH2:65][CH3:66])[N:67]=[N:68][C:69]([O:70][CH2:71][CH3:72])=[O:73].[c:12]1([P:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH:6]([CH2:10][O:11][c:56]2[cH:55][cH:54][c:53]([C:52]([N:45]3[CH:44]([CH3:61])[CH2:43][CH:42]([N:38]([c:35]4[cH:34][cH:33][c:32]([Cl:31])[cH:37][cH:36]4)[C:39]([CH3:40])=[O:41])[c:51]4[c:46]3[cH:47][cH:48][cH:49][cH:50]4)=[O:60])[cH:58][cH:57]2)[CH2:7][CH2:8][CH2:9]1