HRID1226422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

结构：CC(=O)OC1CC(c2nc(-c3ccccc3)c(-c3ccccc3)o2)N(C(=O)OCc2ccccc2)C1

HCID178475359

未命名化合物

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)N1CC(O)CC1c1nc(-c2ccccc2)c(-c2ccccc2)o1

HCID178525160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf50058e54c14443acf35e52b5e03181
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](=[O:2])([CH3:3])[O:4][CH:5]1[CH2:6][CH:7]([c:20]2[o:21][c:22](-[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:23](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[n:24]2)[N:8]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:9]1.[CH3:38][C:39]#[N:40].[CH3:41][OH:42].[ClH:37]>>[OH:4][CH:5]1[CH2:6][CH:7]([c:20]2[o:21][c:22](-[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:23](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[n:24]2)[N:8]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:9]1