HRID86062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8900

Heptane

C7H16

HCID642856

未命名化合物

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID57525626

未命名化合物

PRODUCTS

生成物

结构：COC1(OC)CC(c2cc(NC(=O)C(C)(C)c3ccccn3)n(C(C)(C)C)n2)C1

HCID68567915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21ebec1670064d13a20228a2237f7453
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:5]([CH3:6])([CH3:7])([CH3:8])[n:9]1[n:10][c:11]([CH:15]2[CH2:16][C:17]([O:19][CH3:20])([O:21][CH3:22])[CH2:18]2)[cH:12][c:13]1[NH2:14].[CH2:23]([O:25][C:26](=[O:24])[C:27]([CH3:28])([c:29]1[n:30][cH:31][cH:32][cH:33][cH:34]1)[CH3:35])[CH3:36].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[Cl-:37].[Cl:46][CH2:47][Cl:48].[NH4+:38]>>[C:5]([CH3:6])([CH3:7])([CH3:8])[n:9]1[n:10][c:11]([CH:15]2[CH2:16][C:17]([O:19][CH3:20])([O:21][CH3:22])[CH2:18]2)[cH:12][c:13]1[NH:14][C:26](=[O:25])[C:27]([CH3:28])([c:29]1[n:30][cH:31][cH:32][cH:33][cH:34]1)[CH3:35]