HRID2340483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8082

Piperidine

C5H11N

结构：COc1cc(C(=O)N2CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)ccc1Nc1ncc2c(n1)N(C1CCC1)CC(F)(F)C(=O)N2C

HCID67076240

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC(N)CC2)ccc1Nc1ncc2c(n1)N(C1CCC1)CC(F)(F)C(=O)N2C

HCID44547051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44e080b067aa4f86b87504ae6b505bf7
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

[CH2:55]1[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]1.[Cl:61][CH2:62][Cl:63].[cH:1]1[c:2]2[c:14]([cH:15][cH:16][cH:54]1)-[c:9]1[c:8]([cH:13][cH:12][cH:11][cH:10]1)[CH:3]2[CH2:4][O:5][C:6](=[O:7])[NH:17][CH:18]1[CH2:19][CH2:20][N:21]([C:24]([c:25]2[cH:26][c:27]([O:51][CH3:52])[c:28]([NH:31][c:32]3[n:33][cH:34][c:35]4[c:36]([n:50]3)[N:37]([CH:46]3[CH2:47][CH2:48][CH2:49]3)[CH2:38][C:39]([F:44])([F:45])[C:40](=[O:43])[N:41]4[CH3:42])[cH:29][cH:30]2)=[O:53])[CH2:22][CH2:23]1>>[NH2:17][CH:18]1[CH2:19][CH2:20][N:21]([C:24]([c:25]2[cH:26][c:27]([O:51][CH3:52])[c:28]([NH:31][c:32]3[n:33][cH:34][c:35]4[c:36]([n:50]3)[N:37]([CH:46]3[CH2:47][CH2:48][CH2:49]3)[CH2:38][C:39]([F:44])([F:45])[C:40](=[O:43])[N:41]4[CH3:42])[cH:29][cH:30]2)=[O:53])[CH2:22][CH2:23]1