HRID2345429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：COCC(=O)Nc1cccc(C=CC(=O)c2c(O)c3ccccc3oc2=O)c1

HCID76168310

未命名化合物

PRODUCTS

生成物

结构：COCC(=O)Nc1cccc(C=CC(=O)c2c(OC)c3ccccc3oc2=O)c1

HCID74020005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8e961ab48e744e69a2e577fcefef3bc
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

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