HRID178506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID123457

1H-Imidazole, 2-(1-methylethyl)-

C6H10N2

结构：Cc1c(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(OC(F)F)nc2c(Cl)ccc(OCC(=O)OC(C)(C)C)c12

HCID67458465

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cc2ccc(-n3ccnc3C(C)C)cc2)c(OC(F)F)nc2c(Cl)ccc(OCC(=O)OC(C)(C)C)c12

HCID67456320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67595da39ab342989be5876f41d9c2a9
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

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