HRID810017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CN1CCC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2cc(Br)ccc21

HCID22329036

未命名化合物

HCID86756814

未命名化合物

PRODUCTS

生成物

结构：CCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCN3C)cc1

HCID3009402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9b702451bc0457696a21d9b3244b2f1
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[B:1]([O-:2])([O-:16])[O:17][c:3]1[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][CH3:15])[cH:7][cH:8]1.[Br:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:48]1)[CH:24]=[C:25]([C:30](=[O:31])[NH:32][c:33]1[cH:34][cH:35][c:36]([CH2:39][N:40]([CH:41]3[CH2:42][CH2:43][O:44][CH2:45][CH2:46]3)[CH3:47])[cH:37][cH:38]1)[CH2:26][CH2:27][N:28]2[CH3:29].[C:49](=[O:50])([O-:51])[O-:52].[CH2:62]([OH:63])[CH3:64].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[K+:53].[K+:54].[OH2:65].[c:55]1([CH3:56])[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[c:3]1(-[c:19]2[cH:20][cH:21][c:22]3[c:23]([cH:48]2)[CH:24]=[C:25]([C:30](=[O:31])[NH:32][c:33]2[cH:34][cH:35][c:36]([CH2:39][N:40]([CH:41]4[CH2:42][CH2:43][O:44][CH2:45][CH2:46]4)[CH3:47])[cH:37][cH:38]2)[CH2:26][CH2:27][N:28]3[CH3:29])[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][CH3:15])[cH:7][cH:8]1