HRID1128360

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID10254

2,4,6-Trimethylbenzaldehyde

C10H12O

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

HCID58625148

未命名化合物

PRODUCTS

生成物

结构：CCCN1Cc2cc(Oc3cccc(CNCc4c(C)cc(C)cc4C)c3)ccc2N=C1NC(=O)OC(C)(C)C

HCID58625150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b3e183a7b5f4c71b035e478787c3d38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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