HRID1235653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11325

1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-

C10H8BrNO2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NCC(C)C)ccc3O)cc12

HCID59275349

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NCC(C)C)ccc3OCCN3C(=O)c4ccccc4C3=O)cc12

HCID59275198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd9cd9f3c980466caacba633dfe316f2
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:35][CH2:36][CH2:37][N:38]1[C:39](=[O:48])[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[C:46]1=[O:47].[CH2:49]1[CH2:50][CH2:51][C:52]2=[N:57][CH2:56][CH2:55][CH2:54][N:53]2[CH2:58][CH2:59]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13](=[O:14])[NH:15][CH3:16])[cH:17][c:18](-[c:21]2[c:22]([OH:34])[cH:23][cH:24][c:25]([C:27]([NH:28][CH2:29][CH:30]([CH3:31])[CH3:32])=[O:33])[cH:26]2)[cH:19][cH:20]3)[cH:6][cH:7]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13](=[O:14])[NH:15][CH3:16])[cH:17][c:18](-[c:21]2[c:22]([O:34][CH2:36][CH2:37][N:38]4[C:39](=[O:48])[c:40]5[cH:41][cH:42][cH:43][cH:44][c:45]5[C:46]4=[O:47])[cH:23][cH:24][c:25]([C:27]([NH:28][CH2:29][CH:30]([CH3:31])[CH3:32])=[O:33])[cH:26]2)[cH:19][cH:20]3)[cH:6][cH:7]1