HRID1238089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID15668195

1-(6-Bromopyridin-3-yl)ethan-1-one

C7H6BrNO

反应SMILES：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cncs2)c1

HCID58456403

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(C)(O)c3ccc(Br)nc3)s2)c1

HCID86658258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-171e9613a1234f05a3eab1718f3ec993
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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