HRID286146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9973

Benzoic acid, 4-fluoro-

C7H5FO2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(CC(=O)N1CCNCC1)Nc1ccc(-c2ccccc2)cc1

HCID57875812

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)Nc1ccc(-c2ccccc2)cc1

HCID44231083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e9d0cd66ea3496eb9704e0aac0d8b89
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

[CH3:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH2:36][CH2:37][N:38]([CH3:39])[CH3:40].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:41].[ClH:42].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1.[OH:20][C:21](=[O:22])[c:23]1[cH:24][cH:25][c:26]([F:27])[cH:28][cH:29]1.[c:43]1(-[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:44][cH:45][c:46]([NH:49][C:50]([CH2:51][C:52]([N:53]2[CH2:54][CH2:55][NH:56][CH2:57][CH2:58]2)=[O:59])=[O:60])[cH:47][cH:48]1>>[C:21](=[O:22])([c:23]1[cH:24][cH:25][c:26]([F:27])[cH:28][cH:29]1)[N:56]1[CH2:55][CH2:54][N:53]([C:52]([CH2:51][C:50]([NH:49][c:46]2[cH:45][cH:44][c:43](-[c:61]3[cH:62][cH:63][cH:64][cH:65][cH:66]3)[cH:48][cH:47]2)=[O:60])=[O:59])[CH2:58][CH2:57]1