HRID190777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID2783006

5-(Chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C12H9ClF3NS

HCID59660642

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(=O)c(I)coc2c1

HCID59660649

3-Iodo-7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methoxy]-4H-1-benzopyran-4-one

C21H13F3INO3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e20d41335d754f1bb6e4d70012ba8230
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:14][CH2:15][c:16]1[c:17]([CH3:31])[n:18][c:19](-[c:21]2[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]2)[s:20]1.[I-:33].[K+:38].[K+:39].[Na+:32].[OH2:45].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6](=[O:13])[c:7]([I:12])[cH:8][o:9][c:10]2[cH:11]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6](=[O:13])[c:7]([I:12])[cH:8][o:9][c:10]2[cH:11]1)[CH2:15][c:16]1[c:17]([CH3:31])[n:18][c:19](-[c:21]2[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]2)[s:20]1