HRID1209187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

HCID67178925

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COc1cccc2c1CCCC2N=[N+]=[N-]

HCID72539554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b336b963f1f4dae91e03f5ce5abe4a4
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:18]1[CH2:17][CH2:16][CH2:15][CH:14]2[OH:19])=[O:20].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[N:38]12[CH2:39][CH2:40][CH2:41][N:42]=[C:43]1[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2.[OH2:49].[c:21]1([P:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)(=[O:29])[N:35]=[N+:36]=[N-:37])[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:18]1[CH2:17][CH2:16][CH2:15][CH:14]2[N:35]=[N+:36]=[N-:37])=[O:20]