HRID119934

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

HCID4103526

tert-Butyl N-(2-bromoethyl)carbamate

C7H14BrNO2

结构：Cc1cccc(-c2[nH]c(Cc3ccc(F)c(O)c3)nc2-c2ccc3ncccc3c2)n1

HCID44546065

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCNC(=O)OC(C)(C)C)c3)nc2-c2ccc3ncccc3c2)n1

HCID68539825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f184bc3e8ce3460ebab71a3b75b1f376
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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