HRID2322814

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

HCID67549202

Ethyl 2-[3-(aminomethyl)-1-azetidinyl]-4-methyl-5-thiazolecarboxylate

C11H17N3O2S

PRODUCTS

生成物

结构：CCOC(=O)c1sc(N2CC(CNC(=O)c3nc(Cl)c(CC)[nH]3)C2)nc1C

HCID67548537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92ccf0ff099b4de88d16eb1bbc10d35b
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

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