HRID1563374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

HCID13854

1H-Pyrrole-2-carboxaldehyde

C5H5NO

结构：CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4ccc5c(c4)CC(=O)N5)c3)cc2)CC1

HCID59804373

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4ccc5c(c4)C(=Cc4ccc[nH]4)C(=O)N5)c3)cc2)CC1

HCID66675703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a78db62870940dfa858611155c94626
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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