HRID312143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1030

1,2-Propylene glycol

C3H8O2

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C=O)c3c2)c1=O

HCID17852368

未命名化合物

PRODUCTS

生成物

结构：CC1COC(c2nsc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)O1

HCID20634181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-adf42d4a259b42e4864a1a84a7a3ba12
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

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