HRID2153482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7525

N-Ethylmorpholine

C6H13NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5224207

1-[2-Chloro-3-(trifluoromethyl)phenyl]methanamine

C8H7ClF3N

HCID67103348

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)N(c2ncccn2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl

HCID25097731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5215fd329b842218b65b2ec18f87f47
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

[CH2:29]([N:30]=[C:31]=[N:32][CH2:33][CH2:34][CH2:35][N:36]([CH3:37])[CH3:38])[CH3:39].[CH2:40]([N:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1)[CH3:47].[CH3:1][N:2]1[C:3](=[O:16])[N:4]([c:10]2[n:11][cH:12][cH:13][cH:14][n:15]2)[CH2:5][CH:6]1[C:7](=[O:8])[OH:9].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[Cl:48][c:49]1[c:50]([CH2:59][NH2:60])[cH:51][cH:52][cH:53][c:54]1[C:55]([F:56])([F:57])[F:58].[Cl:61][CH2:62][Cl:63].[ClH:28].[OH2:17].[OH:18][n:19]1[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1>>[CH3:1][N:2]1[C:3](=[O:16])[N:4]([c:10]2[n:11][cH:12][cH:13][cH:14][n:15]2)[CH2:5][CH:6]1[C:7](=[O:9])[NH:60][CH2:59][c:50]1[c:49]([Cl:48])[c:54]([C:55]([F:56])([F:57])[F:58])[cH:53][cH:52][cH:51]1