HRID1134018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID78328

1-Piperazinepropanamine, 4-methyl-

C8H19N3

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CO)cc1

HCID20786191

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CCCNCc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)CC1

HCID58001232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a512293c01bf4d7b9cc82dd93781f1aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11](=[O:12])[NH:13][c:14]1[c:15]([NH:20][C:21]([c:22]2[cH:23][cH:24][c:25]([CH2:28][OH:29])[cH:26][cH:27]2)=[O:30])[cH:16][cH:17][cH:18][cH:19]1.[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cl:49][CH2:50][Cl:51].[NH2:38][CH2:39][CH2:40][CH2:41][N:42]1[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]1.[OH2:52]>>[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11](=[O:12])[NH:13][c:14]1[c:15]([NH:20][C:21]([c:22]2[cH:23][cH:24][c:25]([CH2:28][NH:38][CH2:39][CH2:40][CH2:41][N:42]3[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]3)[cH:26][cH:27]2)=[O:30])[cH:16][cH:17][cH:18][cH:19]1