HRID294515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

3 次

HCID6342

Acetonitrile

C2H3N

HCID84979

Bromate

BrO3-

2 次

HCID104810

Barium (II) ion

Ba+2

HCID114853

Cerium(3+)

Ce+3

2 次

结构：CNS(=O)(=O)c1cc(-c2cc(CCCOCc3ccccc3)nc(C#N)n2)cc(C(F)(F)F)c1

HCID69047005

未命名化合物

PRODUCTS

生成物

结构：CNS(=O)(=O)c1cc(-c2cc(CCCO)nc(C#N)n2)cc(C(F)(F)F)c1

HCID57839126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-beaaf1b842fa45d08daec3877c4f5c20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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