HRID1226036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID13163973

4-Cyclopropyl-1H-pyrazole

C6H8N2

结构：CCc1nc2c(F)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(B(O)O)cc1

HCID67458287

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(F)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(-n2cc(C3CC3)cn2)cc1

HCID67458601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7b36a05e86d43b0983128bdf22631af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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