HRID2317505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7313

N,N-Diisopropylaminoethanol

C8H19NO

结构：COc1ccccc1C(O)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1

HCID44236599

未命名化合物

结构：COc1ccccc1C(OCCCO)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1

HCID44236704

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C(OCCN(C(C)C)C(C)C)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1

HCID44236471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e33dc1c624a4ecfa3dec1860802da4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH:32]([CH3:33])([CH3:34])[N:35]([CH2:36][CH2:37][OH:38])[CH:39]([CH3:40])[CH3:41].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[n:17][cH:18][c:19]([CH:22]([c:23]4[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]4)[OH:31])[cH:20][cH:21]3)[CH2:11][CH2:12]1)[cH:9]2.[O:42]1[c:43]2[cH:44][cH:45][c:46]([C:47]3([C:48]([NH:49][c:50]4[cH:51][cH:52][c:53]([CH:54]([O:55][CH2:56][CH2:57][CH2:58][OH:59])[c:60]5[cH:61][cH:62][cH:63][cH:64][c:65]5[O:66][CH3:67])[cH:68][n:69]4)=[O:70])[CH2:71][CH2:72]3)[cH:73][c:74]2[O:75][CH2:76]1>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[n:17][cH:18][c:19]([CH:22]([c:23]4[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]4)[O:31][CH2:37][CH2:36][N:35]([CH:32]([CH3:33])[CH3:34])[CH:39]([CH3:40])[CH3:41])[cH:20][cH:21]3)[CH2:11][CH2:12]1)[cH:9]2