HRID670427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

结构：Cn1nc(-c2cccc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1=O

HCID66742289

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(-c2cccc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(Nc2ccc(C3CCNCC3)cn2)c1=O

HCID56656338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baa26095e90d45d88d70aef47975ebe5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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