HRID136521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID16275

Cyclohexanaecarboxaldehyde

C7H12O

结构：CCC(=O)NC1CC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NN)nc32)C(O)C1O

HCID66630925

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)NC1CC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NN=CC4CCCCC4)nc32)C(O)C1O

HCID178460065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4bd220907844a2f8808ed22cb839996
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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