HRID2152299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21705773

未命名化合物

结构：CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

HCID66916713

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Oc2ccc(I)cc2)cc1

HCID66916719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba0e43cd90b348f0a73b4e2e6ad8b08a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]([CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([O:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:24][cH:25]1)=[O:33].[I:34][c:35]1[cH:36][cH:37][c:38]([O:39][c:40]2[cH:41][cH:42][c:43]([S:44]([Cl:45])(=[O:46])=[O:47])[cH:48][cH:49]2)[cH:50][cH:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]([CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([O:26][c:27]2[cH:28][cH:29][c:30]([I:34])[cH:31][cH:32]2)[cH:24][cH:25]1)=[O:33]