HRID2312015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：O=C(F)c1ccc(F)c(F)c1Nc1ccc(I)cc1F

HCID59469158

3,4-Difluoro-2-(2-fluoro-4-iodoanilino)benzoyl fluoride

C13H6F4INO

反应SMILES：CC(C)(C)OC(=O)NCC1(O)CN(C(=O)OCc2ccccc2)C1

HCID67051555

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

HCID68516053

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ead93805d8994bad9f91e44e0fefe1ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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