HRID938901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID12503

(3-Bromopropyl)benzene

C9H11Br

HCID166653

Hydride

H-

结构：CC(=O)NC1c2ccccc2-c2[nH]c(=O)c3nccn3c21

HCID15291361

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1(CCCc2ccccc2)c2ccccc2-c2[nH]c(=O)c3nccn3c21

HCID70202950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3de9ec3fd8d48509623d6c2c6d5794c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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