HRID2147155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28486

Lithium ion

Li+

HCID4574913

未命名化合物

HCID5306152

1-Acetamido-3-chloropropan-2-yl acetate

C7H12ClNO3

HCID22464076

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCC1CN(c2ccc3c(c2)CC(C)S3)C(=O)O1

HCID22141098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70e0e1313f814f458bad7ffaa6f05edd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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