HRID1569014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID19509

2-Pyridinemethanamine

C6H8N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)C(O)C(Cc1ccccc1)NC(=O)C1CCC(=O)N1Cc1ccccc1

HCID66645008

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccccn1)C(O)C(Cc1ccccc1)NC(=O)C1CCC(=O)N1Cc1ccccc1

HCID66644822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f3b45ce49b3427eb3f82376eec8501f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([C:14](=[O:15])[NH:16][CH:17]([CH:18]([C:19](=[O:20])[OH:21])[OH:22])[CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:10][CH2:11][C:12]1=[O:13].[CH2:49]([Cl:50])[CH2:51][Cl:52].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[Cl:60][CH2:61][Cl:62].[OH2:38].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1.[n:30]1[c:31]([CH2:36][NH2:37])[cH:32][cH:33][cH:34][cH:35]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([C:14](=[O:15])[NH:16][CH:17]([CH:18]([C:19](=[O:20])[NH:37][CH2:36][c:31]2[n:30][cH:35][cH:34][cH:33][cH:32]2)[OH:22])[CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:10][CH2:11][C:12]1=[O:13]