HRID172195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID16024

Fluorene, 9-bromo-

C13H9Br

HCID19660

Carbonate

CO3-2

结构：O=C(N(Cc1ccnc2ccccc12)C1CCNC(Cc2ccccc2)C1)C(F)(F)F

HCID54011634

未命名化合物

PRODUCTS

生成物

结构：O=C(N(Cc1ccnc2ccccc12)C1CCN(C2c3ccccc3-c3ccccc32)C(Cc2ccccc2)C1)C(F)(F)F

HCID54353271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76f0c52e2ac74f63a2d1c14744f93813
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:32][CH:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2-[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]21.[C:46](=[O:47])([O-:48])[O-:49].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[NH:9][CH2:10][CH2:11][CH:12]([N:14]([C:15]([C:16]([F:17])([F:18])[F:19])=[O:20])[CH2:21][c:22]2[cH:23][cH:24][n:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]23)[CH2:13]1.[CH3:52][C:53](=[O:54])[CH3:55].[K+:50].[K+:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([CH:33]2[c:34]3[cH:35][cH:36][cH:37][cH:38][c:39]3-[c:40]3[cH:41][cH:42][cH:43][cH:44][c:45]32)[CH2:10][CH2:11][CH:12]([N:14]([C:15]([C:16]([F:17])([F:18])[F:19])=[O:20])[CH2:21][c:22]2[cH:23][cH:24][n:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]23)[CH2:13]1