HRID1219219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID15760399

4-(2H-Tetrazol-2-yl)phenol

C7H6N4O

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Cl)ncnc32)CC1

HCID57964905

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(-n5ncnn5)cc4)ncnc32)CC1

HCID57964882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf8f23bb3fb54d5cbbf1bc9b7972b072
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](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[Cl:23])[CH2:12][CH2:13]1.[C:36](=[O:37])([O-:38])[O-:39].[K+:40].[K+:41].[n:24]1[n:25](-[c:29]2[cH:30][cH:31][c:32]([OH:35])[cH:33][cH:34]2)[n:26][n:27][cH:28]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[O:35][c:32]2[cH:31][cH:30][c:29](-[n:25]3[n:24][cH:28][n:27][n:26]3)[cH:34][cH:33]2)[CH2:12][CH2:13]1