HRID200444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID69221

Glycine methyl ester

C3H7NO2

结构：O=C(O)c1ccc(C2=NCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F

HCID58270992

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CNC(=O)c1ccc(C2=NCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F

HCID58270969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0c8f5df1ed0418eabc460e1f247a8f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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