HRID1573890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(C(=O)OC(C)(C)C)C(C(C)C)C3=O)n(C)c2n1

HCID59606035

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCNC(C(C)C)C3=O)n(C)c2n1

HCID59606085

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3757e8f92c6a44fc839805cbd726b349
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]([O:2][C:3](=[O:4])[N:8]1[CH:9]([CH:43]([CH3:44])[CH3:45])[C:10](=[O:42])[N:11]([CH2:14][c:15]2[n:16]([CH3:41])[c:17]3[n:18][c:19](-[n:30]4[c:31]([CH2:39][CH3:40])[n:32][c:33]5[c:34]4[cH:35][cH:36][cH:37][cH:38]5)[n:20][c:21]([N:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[c:22]3[n:23]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:53][CH2:54][Cl:55].[F:46][C:47]([F:48])([F:49])[C:50]([OH:51])=[O:52]>>[NH:8]1[CH:9]([CH:43]([CH3:44])[CH3:45])[C:10](=[O:42])[N:11]([CH2:14][c:15]2[n:16]([CH3:41])[c:17]3[n:18][c:19](-[n:30]4[c:31]([CH2:39][CH3:40])[n:32][c:33]5[c:34]4[cH:35][cH:36][cH:37][cH:38]5)[n:20][c:21]([N:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[c:22]3[n:23]2)[CH2:12][CH2:13]1