HRID1573067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID22557860

未命名化合物

HCID22557874

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(N(Cc2cncc(-c3cc(OC)c(OC)c(OC)c3)c2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID22557875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c5b5c77d32f4ad28e0d7487405c4502
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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