HRID1240667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

结构：COc1ccc(C2C(CCC(O)c3ccc(OCc4ccc(CBr)cc4)cc3)C(=O)N2c2ccc(F)cc2)cc1

HCID21083178

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：COc1ccc(C2C(CCC(O)c3ccc(OCc4ccc(C[N+]56CCN(CC5)CC6)cc4)cc3)C(=O)N2c2ccc(F)cc2)cc1

HCID21083162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4e675253570496cb788e6533f71a25d
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:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][CH:18]3[C:19](=[O:37])[N:20]([c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[CH:21]3[c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[OH:38])[cH:13][cH:14]2)[cH:39][cH:40]1.[CH2:41]1[CH2:42][N:43]2[CH2:44][CH2:45][N:46]1[CH2:47][CH2:48]2.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[Br-:1].[CH2:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][CH:18]3[C:19](=[O:37])[N:20]([c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[CH:21]3[c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[OH:38])[cH:13][cH:14]2)[cH:39][cH:40]1)[N+:43]12[CH2:42][CH2:41][N:46]([CH2:45][CH2:44]1)[CH2:47][CH2:48]2