HRID304243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2733272

1-Carboxycyclopropanecarboxamide

C5H7NO3

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(N)(C3CC3)C3CC3)s2)c1

HCID58456217

2-Pyrimidinamine, N-[3-[2-(aminodicyclopropylmethyl)-5-thiazolyl]-5-methylphenyl]-4-(trifluoromethyl)-

C22H22F3N5S

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(NC(=O)C3(C(N)=O)CC3)(C3CC3)C3CC3)s2)c1

HCID67433438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6343a540bca240ef8417a9f53c35bfb9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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