HRID687891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID240534

1H-Isoindole-1,3(2H)-dione,2-(4-bromopentyl)-

C13H14BrNO2

结构：COc1cc(N)c2nccc(C)c2c1OCCCCCCCc1ccccc1

HCID609151

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(C)CCCN2C(=O)c3ccccc3C2=O)c2nccc(C)c2c1OCCCCCCCc1ccccc1

HCID53980731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3daaa81c7e274b99ab09907d103aed25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:29][CH:30]([CH2:31][CH2:32][CH2:33][N:34]1[C:35](=[O:44])[c:36]2[c:37]([cH:40][cH:41][cH:42][cH:43]2)[C:38]1=[O:39])[CH3:45].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[NH2:1][c:2]1[cH:3][c:4]([O:27][CH3:28])[c:5]([O:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:6]2[c:7]([CH3:12])[cH:8][cH:9][n:10][c:11]12>>[NH:1]([c:2]1[cH:3][c:4]([O:27][CH3:28])[c:5]([O:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:6]2[c:7]([CH3:12])[cH:8][cH:9][n:10][c:11]12)[CH:30]([CH2:31][CH2:32][CH2:33][N:34]1[C:35](=[O:44])[c:36]2[c:37]([cH:40][cH:41][cH:42][cH:43]2)[C:38]1=[O:39])[CH3:45]