HRID136072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID75491

Phenol, 2-phenoxy-

C12H10O2

结构：CCCc1nc(CC)c(C(=O)CBr)n1Cc1ccc(Br)cc1F

HCID19430491

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(CC)c(C(=O)COc2ccccc2Oc2ccccc2)n1Cc1ccc(Br)cc1F

HCID19430471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d51d4e7b4b3840ecbcfdc1e10bbeb60b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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