HRID297073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CCOc1cc(OC(C)C)c(F)c(C(O)c2nc(-c3ccccc3)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68813196

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(OC(C)C)c(F)c(C(Cl)c2nc(-c3ccccc3)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68812541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-960bf8489bd747b69858752c9c99b811
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

[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([O:43][CH:44]([CH3:45])[CH3:46])[c:7]([F:42])[c:8]([CH:10]([OH:11])[c:12]2[n:13]([C:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:14][c:15](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:16]2)[cH:9]1.[CH3:47][S:48]([Cl:49])(=[O:50])=[O:51].[CH3:55][N:56]([c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1)[CH3:63].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[Cl:52][CH2:53][Cl:54]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([O:43][CH:44]([CH3:45])[CH3:46])[c:7]([F:42])[c:8]([CH:10]([c:12]2[n:13]([C:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:14][c:15](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:16]2)[Cl:49])[cH:9]1