HRID311040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc2c(c1)c(C(=O)O)c(C)n2CCc1ccc(OC)c(OC)c1

HCID1082708

未命名化合物

HCID9834255

3H-spiro[isobenzofuran-1,4'-piperidin]-3-one

C12H13NO2

PRODUCTS

生成物

结构：COc1ccc2c(c1)c(C(=O)N1CCC3(CC1)OC(=O)c1ccccc13)c(C)n2CCc1ccc(OC)c(OC)c1

HCID59657585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa9b8ce561cf4111b604b0f9f2a84051
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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