HRID673919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6386

tert-Butyl alcohol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID69262424

2-Fluoro-N-(2-methyl-5-benzothiazolyl)-3-pyridinecarboxamide

C14H10FN3OS

HCID69264020

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2cc(NC(=O)c3cccnc3NCc3ncnc4[nH]ccc34)ccc2s1

HCID16223614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d930e493b9f41e1afcd1abe892ec130
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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