HRID89266

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)NC2CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID44548769

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCNCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID25253065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c81f22b21d834126a67aec2b5bd0353a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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