HRID1544786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID7519

Anisole

C7H8O

反应SMILES：CNC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(Cc2ccc(F)cc2)NC(=O)OC(C)(C)C)C(CC2CC2)C1=O

HCID72406548

未命名化合物

PRODUCTS

产物

HCID6422

未命名化合物

反应SMILES：CNC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(N)Cc2ccc(F)cc2)C(CC2CC2)C1=O

HCID10256453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3b7fb3d8d786478fb6fdf02d9e4865f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([CH2:34][CH:35]2[CH2:36][CH2:37]2)[C:13](=[O:33])[N:14]([CH:17]([CH2:18][c:19]2[cH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[cH:27][cH:28]2)[C:29]([NH:30][CH3:31])=[O:32])[CH2:15][CH2:16]1)[CH2:38][c:39]1[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]1)([CH3:5])([CH3:6])[CH3:46].[CH3:54][O:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cl:62][CH2:63][Cl:64].[F:47][C:48]([C:49](=[O:50])[OH:51])([F:52])[F:53]>>[F:47][C:48]([C:49](=[O:50])[OH:51])([F:52])[F:53].[NH2:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([CH2:34][CH:35]2[CH2:36][CH2:37]2)[C:13](=[O:33])[N:14]([CH:17]([CH2:18][c:19]2[cH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[cH:27][cH:28]2)[C:29]([NH:30][CH3:31])=[O:32])[CH2:15][CH2:16]1)[CH2:38][c:39]1[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]1