HRID670637

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID27524

1H-Pyrazole, 4-chloro- (9CI)

C3H3ClN2

结构：CCc1nc2c(F)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID67458783

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(F)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(-n2cc(Cl)cn2)cc1

HCID67458359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1322117bc3b9487999bfb2eb2dbe4e56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]2[c:8]([O:35][CH:36]([F:37])[F:38])[c:9]([CH2:19][c:20]3[cH:21][cH:22][c:23]([B:26]4[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]4)[cH:24][cH:25]3)[c:10]([CH2:17][CH3:18])[n:11][c:12]2[c:13]([F:16])[cH:14][cH:15]1)=[O:39].[CH3:46][C:47](=[O:48])[O-:49].[Cl:40][c:41]1[cH:42][n:43][nH:44][cH:45]1.[OH2:56].[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]2[c:8]([O:35][CH:36]([F:37])[F:38])[c:9]([CH2:19][c:20]3[cH:21][cH:22][c:23](-[n:43]4[cH:42][c:41]([Cl:40])[cH:45][n:44]4)[cH:24][cH:25]3)[c:10]([CH2:17][CH3:18])[n:11][c:12]2[c:13]([F:16])[cH:14][cH:15]1)=[O:39]