HRID1207684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID19353429

未命名化合物

结构：CCCOC1CN(c2nc(C(=O)O)c(C(=O)OCC)s2)CCC1NC(=O)c1nc(Cl)c(CC)[nH]1

HCID68416003

未命名化合物

PRODUCTS

生成物

结构：CCCOC1CN(c2nc(C(=O)NC(C)OC)c(C(=O)OCC)s2)CCC1NC(=O)c1nc(Cl)c(CC)[nH]1

HCID68414599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53d72182b4a445cea3bd382117a762e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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