HRID171636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID283

Formic acid, ion(1-)

CHO2-

HCID297

Methane

CH4

HCID702

Ethanol

C2H6O

HCID6212

Chloroform

CHCl3

HCID23938

Palladium

结构：O=C(NCc1ccc(OC(F)(F)F)cc1)C1CN(c2nc3nc(C4CC4)nc(Cl)c3s2)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1

HCID72362706

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(OC(F)(F)F)cc1)C1CN(c2nc3nc(C4CC4)ncc3s2)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1

HCID178523038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bd2063545d0492c8f489258cadae980
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:60].[CH3:53][CH2:54][OH:55].[CH:49]([O-:50])=[O:51].[CH:56]([Cl:57])([Cl:58])[Cl:59].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][NH:9][C:10](=[O:11])[CH:12]2[N:13]([S:31](=[O:32])(=[O:33])[c:34]3[cH:35][cH:36][c:37]([O:40][C:41]([F:42])([F:43])[F:44])[cH:38][cH:39]3)[CH2:14][CH2:15][N:16]([c:18]3[s:19][c:20]4[c:21]([n:22][c:23]([CH:27]5[CH2:28][CH2:29]5)[n:24][c:25]4[Cl:26])[n:30]3)[CH2:17]2)[cH:45][cH:46]1)([F:47])[F:48].[NH4+:52].[Pd:61]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][NH:9][C:10](=[O:11])[CH:12]2[N:13]([S:31](=[O:32])(=[O:33])[c:34]3[cH:35][cH:36][c:37]([O:40][C:41]([F:42])([F:43])[F:44])[cH:38][cH:39]3)[CH2:14][CH2:15][N:16]([c:18]3[s:19][c:20]4[c:21]([n:22][c:23]([CH:27]5[CH2:28][CH2:29]5)[n:24][cH:25]4)[n:30]3)[CH2:17]2)[cH:45][cH:46]1)([F:47])[F:48]