HRID1146549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

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

HCID58456403

未命名化合物

HCID87324418

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(NS(=O)C(C)(C)C)(C3CC3)C3CC3)s2)c1

HCID67430001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e42c6930aa64da792eb8575f7d5619d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:46][C:47](=[O:48])[OH:49].[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].[CH:32]1([C:35](=[N:36][S:37](=[O:38])[C:39]([CH3:40])([CH3:41])[CH3:42])[CH:43]2[CH2:44][CH2:45]2)[CH2:33][CH2:34]1.[Li+:8].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]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][c:19]([C:35]([CH:32]3[CH2:33][CH2:34]3)([NH:36][S:37](=[O:38])[C:39]([CH3:40])([CH3:41])[CH3:42])[CH:43]3[CH2:44][CH2:45]3)[s:20]2)[cH:15]1