HRID2131762

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：COc1cc(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID58015156

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NCCCN2CCNCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID58015046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dac0f5dddc547449d5f2a45122dc0a5
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]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][NH:17][C:18]([c:19]2[cH:20][c:21]([O:46][CH3:47])[c:22]([NH:25][c:26]3[n:27][cH:28][c:29]4[c:30]([n:45]3)[N:31]([CH:40]3[CH2:41][CH2:42][CH2:43][CH2:44]3)[CH2:32][C:33]([F:38])([F:39])[C:34](=[O:37])[N:35]4[CH3:36])[cH:23][cH:24]2)=[O:48])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:56][CH2:57][Cl:58].[OH:49][C:50]([C:51]([F:52])([F:53])[F:54])=[O:55]>>[NH:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][NH:17][C:18]([c:19]2[cH:20][c:21]([O:46][CH3:47])[c:22]([NH:25][c:26]3[n:27][cH:28][c:29]4[c:30]([n:45]3)[N:31]([CH:40]3[CH2:41][CH2:42][CH2:43][CH2:44]3)[CH2:32][C:33]([F:38])([F:39])[C:34](=[O:37])[N:35]4[CH3:36])[cH:23][cH:24]2)=[O:48])[CH2:12][CH2:13]1