HRID187531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID22025663

3,4-Difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid

C13H7F3INO2

HCID67051780

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(C(O)CC2OCCO2)C1

HCID67051842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9707d7ffa904fa288ee24653209bd6b
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

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