HRID285469

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID78703

4-(1-Pyrrolidinyl)piperidine

C9H18N2

结构：COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCC1CO1

HCID57756552

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCC(O)CN1CCC(N2CCCC2)CC1

HCID57756381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8408928b0ce492395285cb2ea66f370
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:18][c:19]3[c:20]([C:26](=[O:27])[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][CH:15]1[O:16][CH2:17]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[N:34]1([CH:39]2[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]2)[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH2:45]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:18][c:19]3[c:20]([C:26](=[O:27])[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][CH:15]([OH:16])[CH2:17][N:42]1[CH2:41][CH2:40][CH:39]([N:34]2[CH2:35][CH2:36][CH2:37][CH2:38]2)[CH2:44][CH2:43]1