HRID137275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID67574

Benzenamine, 4-chloro-3-(trifluoromethyl)-

C7H5ClF3N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID863916

[3-(1H-tetrazol-1-yl)phenoxy]acetic acid

C9H8N4O3

PRODUCTS

生成物

结构：O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

HCID4714043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28fc98e3c9d741e68c6c5d537876f754
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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