HRID1238230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID59469101

4-[(2-Fluoro-4-iodophenyl)amino]-1,6-dihydro-1-methyl-6-oxo-3-pyridazinecarboxylic acid

C12H9FIN3O3

HCID130003094

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)OC(C)(C)C)C1(O)CN(C(=O)c2nn(C)c(=O)cc2Nc2ccc(I)cc2F)C1

HCID72294410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cbe2e4f7b5142a4b7f78b8a538df3bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:32][N:33]([CH3:34])[CH2:35][CH2:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH3:42].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[ClH:31].[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:18](=[O:19])[OH:20])[n:12][n:13]([CH3:17])[c:14](=[O:16])[cH:15]2)[cH:4][cH:5][c:6]([I:8])[cH:7]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:21][n:22]1[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1.[OH:43][C:44]1([CH:48]([CH3:49])[NH:50][C:51]([O:52][C:53]([CH3:54])([CH3:55])[CH3:56])=[O:57])[CH2:45][NH:46][CH2:47]1>>[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:18](=[O:20])[N:46]3[CH2:45][C:44]([OH:43])([CH:48]([CH3:49])[NH:50][C:51]([O:52][C:53]([CH3:54])([CH3:55])[CH3:56])=[O:57])[CH2:47]3)[n:12][n:13]([CH3:17])[c:14](=[O:16])[cH:15]2)[cH:4][cH:5][c:6]([I:8])[cH:7]1