HRID178115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID67548752

未命名化合物

HCID67548929

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

C6H7ClN2O2

PRODUCTS

生成物

结构：CCOC(=O)c1cnc(N2CC(NC(=O)c3nc(Cl)c(CC)[nH]3)C2)s1

HCID67548970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0136aa5e43ca4d37bb6bbfaef33b5beb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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