HRID147895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7200

Salicylaldehyde oxime

C7H7NO2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID66332

3-Iodothiophene

C4H3IS

HCID104967

Cesium(1+)

Cs+

2 次

结构：O=c1ccn(-c2cccc(C(F)(F)F)c2)nc1-c1ccn[nH]1

HCID59436150

未命名化合物

PRODUCTS

生成物

结构：O=c1ccn(-c2cccc(C(F)(F)F)c2)nc1-c1ccnn1-c1ccsc1

HCID58072349

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b702e0e580004739be609239559b361c
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:11](=[O:12])([O-:13])[O-:14].[CH3:45][C:46]#[N:47].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH:1](=[N:2][OH:3])[c:4]1[c:5]([OH:10])[cH:6][cH:7][cH:8][cH:9]1.[Cs+:15].[Cs+:16].[I:39][c:40]1[cH:41][s:42][cH:43][cH:44]1.[OH2:54].[nH:17]1[n:18][cH:19][cH:20][c:21]1-[c:22]1[n:23][n:24](-[c:29]2[cH:30][c:31]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:33][cH:34]2)[cH:25][cH:26][c:27]1=[O:28]>>[n:17]1(-[c:40]2[cH:41][s:42][cH:43][cH:44]2)[n:18][cH:19][cH:20][c:21]1-[c:22]1[n:23][n:24](-[c:29]2[cH:30][c:31]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:33][cH:34]2)[cH:25][cH:26][c:27]1=[O:28]