HRID2127436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID64985018

未命名化合物

结构：O=C(O)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1

HCID68777051

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C(NC(=O)c2cc(-c3cnn4cc(-c5cccnc5)cnc34)cs2)C(F)(F)F)n1

HCID68775719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2252251783114da0862a01552e7cf354
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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