HRID284775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5067457

未命名化合物

HCID24277790

6-(4-Fluorophenyl)-2-methylpyridine-3-carboxylic acid

C13H10FNO2

结构：CNc1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1

HCID178482156

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N(C)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1

HCID178432526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08eea6fc71054434a9e1cfc93f821ad7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:11]([N:12]=[C:13]=[N:14][CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:44][CH:45]1[N:46]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[CH2:47][CH2:48][N:49]([CH2:51][c:52]2[cH:53][cH:54][c:55]([NH:58][CH3:59])[cH:56][cH:57]2)[CH2:50]1.[Cl:72][CH2:73][Cl:74].[F:27][c:28]1[cH:29][cH:30][c:31](-[c:34]2[cH:35][cH:36][c:37]([C:41](=[O:42])[OH:43])[c:38]([CH3:40])[n:39]2)[cH:32][cH:33]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[F:27][c:28]1[cH:29][cH:30][c:31](-[c:34]2[cH:35][cH:36][c:37]([C:41](=[O:43])[N:58]([c:55]3[cH:54][cH:53][c:52]([CH2:51][N:49]4[CH2:48][CH2:47][N:46]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[CH:45]([CH3:44])[CH2:50]4)[cH:57][cH:56]3)[CH3:59])[c:38]([CH3:40])[n:39]2)[cH:32][cH:33]1