HRID183646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2759828

Methyl 4-(bromomethyl)-3-methoxybenzoate

C10H11BrO3

结构：CC(C)(C)OC(=O)NCCCCCNC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21

HCID19076501

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CN2C(=O)C(NCCCCCNC(=O)OC(C)(C)C)(c3ccccc3Cl)c3cc(Cl)ccc32)c(OC)c1

HCID19076457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-104d482e04aa4a78bf90734496c45b3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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