HRID211893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID10254

2,4,6-Trimethylbenzaldehyde

C10H12O

结构：CCCN1Cc2cc(Oc3cccc(N)c3)ccc2N=C1NC(=O)OC(C)(C)C

HCID58625068

未命名化合物

PRODUCTS

生成物

结构：CCCN1Cc2cc(Oc3cccc(NCc4c(C)cc(C)cc4C)c3)ccc2N=C1NC(=O)OC(C)(C)C

HCID58625122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1380c71361fc4481835da8838788c005
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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