HRID1543015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID235097

(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate

C13H18O5S

结构：O=C(c1cc(O)ccc1F)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID67314403

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(COc2ccc(F)c(C(=O)c3ccc(Nc4ccc(F)cc4F)cc3Cl)c2)O1

HCID58677666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-011d1a4e5228427c93c93c7f02fb6713
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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