HRID96565

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

HCID67548929

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

C6H7ClN2O2

HCID67548973

未命名化合物

PRODUCTS

生成物

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

HCID67548784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f0d7bea69d34bdead4e8a8a065602c0
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

[CH3:11][N:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:36][c:37]1[n:38][c:39]([C:44](=[O:45])[OH:46])[nH:40][c:41]1[CH2:42][CH3:43].[NH2:18][CH:19]1[CH2:20][N:21]([c:23]2[s:24][c:25]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[c:26]([CH:28]([CH3:29])[CH3:30])[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:31](=[O:32])[O:33][CH2:34][CH3:35])[c:26]([CH:28]([CH3:29])[CH3:30])[n:27]2)[CH2:22]1)[C:44]([c:39]1[n:38][c:37]([Cl:36])[c:41]([CH2:42][CH3:43])[nH:40]1)=[O:45]