HRID2345309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID943

Nitrate

NO3-

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

结构：C=C(CCl)C1C(C(C)OC(=O)OCc2ccccc2)C(=O)N1C(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1

HCID178448401

未命名化合物

PRODUCTS

生成物

结构：C=C(CCl)C1NC(=O)C1C(C)OC(=O)OCc1ccccc1

HCID178448404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f38d06db6ce04f53a99815837f83b9ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:47][C:48]#[N:49].[CH3:51][OH:52].[Cl:1][CH2:2][C:3](=[CH2:4])[CH:5]1[CH:6]([CH:29]([CH3:30])[O:31][C:32](=[O:33])[O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[C:7](=[O:28])[N:8]1[CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17][cH:18]1)[CH2:19][c:20]1[cH:21][cH:22][c:23]([O:24][CH3:25])[cH:26][cH:27]1.[NH4+:42].[O-:43][N+:44](=[O:45])[O-:46].[OH2:50]>>[Cl:1][CH2:2][C:3](=[CH2:4])[CH:5]1[CH:6]([CH:29]([CH3:30])[O:31][C:32](=[O:33])[O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[C:7](=[O:28])[NH:8]1