HRID179631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6422

未命名化合物

HCID6484655

4-[2-(dimethylamino)ethoxy]aniline

C10H16N2O

反应SMILES：Cc1cccc(C)c1OC(=O)N(Cc1ccccc1)c1ccnc(Cl)n1

HCID11624827

2,6-Dimethylphenyl N-(2-chloro-4-pyrimidinyl)-N-(phenylmethyl)carbamate

C20H18ClN3O2

PRODUCTS

产物

反应SMILES：Cc1cccc(C)c1OC(=O)N(Cc1ccccc1)c1ccnc(Nc2ccc(OCCN(C)C)cc2)n1

HCID11526341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ac1c7df5a87f40d09be732a4d68434d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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