HRID1219906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID31275

1,4-Dioxane

C4H8O2

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：Nc1cc(CN2CCC(CNC(=O)CNC(=O)c3cc(F)c(F)cc3N)CC2)ccc1O

HCID18426141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcc8e0bd49084df19fcdf59b2a5891e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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