HRID2336126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID67548929

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

C6H7ClN2O2

HCID68406170

未命名化合物

PRODUCTS

生成物

结构：CCCN(C(=O)c1nc(Cl)c(CC)[nH]1)C1CN(c2nc(CC)c(C(=O)OC)s2)C1

HCID67549483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f17bd25d5b67401aa3b87c3c6faefe60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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