HRID314715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8471

Triethylamine

C6H15N

HCID12473

2-Pyrrolecarboxylic acid

C5H5NO2

结构：CC(C)CNNC(=O)C(CC(C)C)C(CC=Cc1ccccc1)C(=O)NOC1CCCCO1

HCID178449889

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)NN(CC(C)C)C(=O)c1ccc[nH]1)C(CC=Cc1ccccc1)C(=O)NOC1CCCCO1

HCID178445351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a206e37791dc4311a01b541cc4928c4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:53][OH:54].[Cl-:41].[Cl:50][CH2:51][Cl:52].[Cl:55][CH2:56][Cl:57].[O:1]1[CH:2]([O:7][NH:8][C:9](=[O:10])[CH:11]([CH2:12][CH:13]=[CH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH:21]([C:22](=[O:23])[NH:24][NH:25][CH2:26][CH:27]([CH3:28])[CH3:29])[CH2:30][CH:31]([CH3:32])[CH3:33])[CH2:3][CH2:4][CH2:5][CH2:6]1.[nH:42]1[c:43]([C:47](=[O:48])[OH:49])[cH:44][cH:45][cH:46]1>>[O:1]1[CH:2]([O:7][NH:8][C:9](=[O:10])[CH:11]([CH2:12][CH:13]=[CH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH:21]([C:22](=[O:23])[NH:24][N:25]([CH2:26][CH:27]([CH3:28])[CH3:29])[C:47]([c:43]2[nH:42][cH:46][cH:45][cH:44]2)=[O:48])[CH2:30][CH:31]([CH3:32])[CH3:33])[CH2:3][CH2:4][CH2:5][CH2:6]1