HRID1537956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21942978

未命名化合物

HCID69566825

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1CC=CC(c2ccccc2)N(C2CCCC2)C1=O

HCID178465044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f1bc78e705541b5936a322e20b13b9c
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

[CH3:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58].[CH3:60][N:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[Cl:67][CH2:68][Cl:69].[ClH:59].[F:21][c:22]1[cH:23][c:24]([CH2:29][C:30](=[O:31])[NH:32][CH:33]([CH3:34])[C:35](=[O:36])[OH:37])[cH:25][c:26]([F:28])[cH:27]1.[NH2:1][CH:2]1[C:3](=[O:20])[N:4]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19]2)[CH:5]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH:6]=[CH:7][CH2:8]1.[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[NH:1]([CH:2]1[C:3](=[O:20])[N:4]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19]2)[CH:5]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH:6]=[CH:7][CH2:8]1)[C:35]([CH:33]([NH:32][C:30]([CH2:29][c:24]1[cH:23][c:22]([F:21])[cH:27][c:26]([F:28])[cH:25]1)=[O:31])[CH3:34])=[O:36]