HRID1203320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6212

Chloroform

CHCl3

HCID11776

Triphenylphosphine

C18H15P

HCID143845

未命名化合物

HCID166653

Hydride

H-

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID584113

Ethyl 3-oxo-2,3-dihydro-1H-indazole-1-carboxylate

C10H10N2O3

HCID3563504

未命名化合物

HCID16686348

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)n1c2ccccc2c(=O)n1CC=Cc1cccnc1

HCID54524080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce7f2ecf96084bef90ee6260d68499ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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