HRID108559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID67548929

4-Chloro-5-ethyl-1H-imidazole-2-carboxylic acid

C6H7ClN2O2

HCID68415436

未命名化合物

PRODUCTS

生成物

结构：CCc1[nH]c(C(=O)NC2CCN(c3cc(OC)cc(C(=O)OC)c3)CC2OC)nc1Cl

HCID68416057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cfb1d6694344d4bb482260e4435646b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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