HRID809944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID9256

Thiazole

C3H3NS

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID52911205

2,2-Dimethyl-4-oxocyclohexane-1-carboxylic acid

C9H14O3

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

HCID58456403

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(C(=O)O)C(C)(C)C3)s2)c1

HCID75992333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b4a3b576aae437a925416d7069ca17a
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

[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:1][c:2]1[cH:3][c:4]([NH:13][c:14]2[n:15][cH:16][cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[n:19]2)[cH:5][c:6](-[c:8]2[cH:9][n:10][cH:11][s:12]2)[cH:7]1.[CH3:32][C:33]1([CH3:43])[CH:34]([C:40](=[O:41])[OH:42])[CH2:35][CH2:36][C:37](=[O:39])[CH2:38]1.[CH3:55][OH:56].[CH:24]([N-:25][CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Li+:31].[OH2:54].[cH:44]1[n:45][cH:46][s:47][cH:48]1>>[CH3:1][c:2]1[cH:3][c:4]([NH:13][c:14]2[n:15][cH:16][cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[n:19]2)[cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]([C:37]3([OH:39])[CH2:36][CH2:35][CH:34]([C:40](=[O:41])[OH:42])[C:33]([CH3:32])([CH3:43])[CH2:38]3)[s:12]2)[cH:7]1