HRID2343781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1

HCID10055016

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1

HCID10347480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e39982469fc0494ba3452ee1ff3a740c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[c:16]([C:44]([F:45])([F:46])[F:47])[cH:17][c:18]([C:19](=[O:20])[NH:21][c:22]3[cH:23][c:24]([NH:29][c:30]4[n:31][cH:32][cH:33][c:34](-[c:36]5[cH:37][n:38][cH:39][n:40][cH:41]5)[n:35]4)[c:25]([CH3:28])[cH:26][cH:27]3)[cH:42][cH:43]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:57][CH2:58][Cl:59].[Na+:56].[OH-:55].[OH:48][C:49]([C:50]([F:51])([F:52])[F:53])=[O:54]>>[NH:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[c:16]([C:44]([F:45])([F:46])[F:47])[cH:17][c:18]([C:19](=[O:20])[NH:21][c:22]3[cH:23][c:24]([NH:29][c:30]4[n:31][cH:32][cH:33][c:34](-[c:36]5[cH:37][n:38][cH:39][n:40][cH:41]5)[n:35]4)[c:25]([CH3:28])[cH:26][cH:27]3)[cH:42][cH:43]2)[CH2:12][CH2:13]1