HRID671855

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

结构：COc1ccc(C[NH+](C)C(CCl)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC

HCID178491236

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C#N)(CCCC2Cc3cc(OC)c(OC)cc3CN2C)C(C)C)cc1OC

HCID129102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd2e28c09dd24190884076faf873c9b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Cl-:2].[Cl:3][CH2:4][CH:5]([CH2:6][CH2:7][CH2:8][C:9]([CH:10]([CH3:11])[CH3:12])([C:13]#[N:14])[c:15]1[cH:16][c:17]([O:23][CH3:24])[c:18]([O:21][CH3:22])[cH:19][cH:20]1)[NH+:25]([CH3:26])[CH2:27][c:28]1[cH:29][c:30]([O:36][CH3:37])[c:31]([O:34][CH3:35])[cH:32][cH:33]1.[NH4+:1]>>[CH2:4]1[CH:5]([CH2:6][CH2:7][CH2:8][C:9]([CH:10]([CH3:11])[CH3:12])([C:13]#[N:14])[c:15]2[cH:16][c:17]([O:23][CH3:24])[c:18]([O:21][CH3:22])[cH:19][cH:20]2)[N:25]([CH3:26])[CH2:27][c:28]2[cH:29][c:30]([O:36][CH3:37])[c:31]([O:34][CH3:35])[cH:32][c:33]21