HRID799282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID3776

Isopropanol

C3H8O

HCID6212

Chloroform

CHCl3

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID31275

1,4-Dioxane

C4H8O2

HCID22561972

2-(1H-1,2,3-Triazol-1-yl)ethan-1-amine

C4H8N4

结构：Cc1cnc(F)cc1-c1cccc2cc(-c3nc(Cl)ncc3F)sc12

HCID86641879

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(F)cc1-c1cccc2cc(-c3nc(NCCn4ccnn4)ncc3F)sc12

HCID25120564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0808e92bbf534e84904a2a0532e5178e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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