HRID1568308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5126

2-Amino-1-propanol

C3H9NO

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1ccc(-c2cc(C(=O)O)cc(-c3ccnn3C(C)C)c2)c(F)c1

HCID57770598

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2cc(C(=O)NC(C)CO)cc(-c3ccnn3C(C)C)c2)c(F)c1

HCID57770677

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07d250ca1cd54d5a9501084d6c5b5631
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

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