HRID93152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID7604

3-Aminoacetanilide

C8H10N2O

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID31374

Dimethylacetamide

C4H9NO

结构：Cc1c(OS(=O)(=O)C(F)(F)F)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O

HCID59717263

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cccc(Nc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)c1

HCID59717354

N-[3-[[3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-1,2,3,4,7,8-hexahydro-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide

C26H23FIN5O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b5d4f7cf8514717b3a783844f939477
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:46][N:47]([CH3:48])[C:49](=[O:50])[CH3:51].[CH3:61][OH:62].[CH:1]1([n:4]2[c:5](=[O:34])[n:6](-[c:26]3[c:27]([F:33])[cH:28][c:29]([I:32])[cH:30][cH:31]3)[c:7]3[c:8]([c:9]2=[O:10])[c:11]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[c:12]([CH3:17])[c:13](=[O:16])[n:14]3[CH3:15])[CH2:2][CH2:3]1.[NH2:35][c:36]1[cH:37][c:38]([NH:39][C:40]([CH3:41])=[O:42])[cH:43][cH:44][cH:45]1.[OH2:60].[n:52]1[c:53]([CH3:54])[cH:55][cH:56][cH:57][c:58]1[CH3:59]>>[CH:1]1([n:4]2[c:5](=[O:34])[n:6](-[c:26]3[c:27]([F:33])[cH:28][c:29]([I:32])[cH:30][cH:31]3)[c:7]3[c:8]([c:9]2=[O:10])[c:11]([NH:35][c:36]2[cH:37][c:38]([NH:39][C:40]([CH3:41])=[O:42])[cH:43][cH:44][cH:45]2)[c:12]([CH3:17])[c:13](=[O:16])[n:14]3[CH3:15])[CH2:2][CH2:3]1