HRID2152731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCC(=O)O

HCID22478293

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCC(=O)N1CCOCC1

HCID18753483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-903d93e1979c48019cfea300f9421f64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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