HRID147892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

结构：CC(C)(C)OC(=O)Nc1cc(F)c(F)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(O)c(N)c2)CC1

HCID18426267

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cc(CN2CCC(CNC(=O)CNC(=O)c3cc(F)c(F)cc3NC(=O)OC(C)(C)C)CC2)ccc1O

HCID18426193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd60605730364fd68bf7a45ad87ea3d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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