HRID2137121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID239820

4-(dimethylamino)butanoic acid

C6H13NO2

结构：Cc1cc(C)c(CNC(=O)c2cc(C3=CCNCC3)nc3c2cnn3C(C)C)c(=O)[nH]1

HCID68294868

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(C3=CCN(C(=O)CCCN(C)C)CC3)nc3c2cnn3C(C)C)c(=O)[nH]1

HCID68350942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cb7d515a84b432e96c44fd726754480
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

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