HRID1220995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID573153

1-(2-Bromoethyl)-4-fluorobenzene

C8H8BrF

结构：O=C(NC1CN2CCC1CC2)OC(c1cccc(F)c1)c1cccc(F)c1

HCID70925809

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：O=C(NC1C[N+]2(CCc3ccc(F)cc3)CCC1CC2)OC(c1cccc(F)c1)c1cccc(F)c1

HCID70925851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2785f72e915c4f438d96cf2707d4e1f2
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

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