HRID949007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID6342

Acetonitrile

C2H3N

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)c1ccc(-c2cc(-c3cnc(SC)nc3CN3C(=O)OC(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3C)c(OC)cc2F)c(C)c1

HCID178497463

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(SC)nc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID178492910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3067a17be65d4c3fae06fd90cb6e00d0
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:58]1[O:59][CH2:60][CH2:61][O:62][CH2:63]1.[CH3:55][C:56]#[N:57].[ClH:54].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:48])[N:15]([CH2:19][c:20]3[n:21][c:22]([S:46][CH3:47])[n:23][cH:24][c:25]3-[c:26]3[c:27]([O:44][CH3:45])[cH:28][c:29]([F:43])[c:30](-[c:32]4[c:33]([CH3:42])[cH:34][c:35]([C:38](=[O:39])[O:40][CH3:41])[cH:36][cH:37]4)[cH:31]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:49])[F:50].[Li+:53].[OH-:52].[OH2:51].[OH2:64]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:48])[N:15]([CH2:19][c:20]3[n:21][c:22]([S:46][CH3:47])[n:23][cH:24][c:25]3-[c:26]3[c:27]([O:44][CH3:45])[cH:28][c:29]([F:43])[c:30](-[c:32]4[c:33]([CH3:42])[cH:34][c:35]([C:38](=[O:39])[OH:40])[cH:36][cH:37]4)[cH:31]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:49])[F:50]