HRID691586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID78373

Methanamine, 1,1-dimethoxy-N,N-dimethyl-

C5H13NO2

结构：COc1cc2cc(C(=O)OC(C)(C)C)c(N)cc2cc1OCc1ccccc1

HCID10156578

未命名化合物

PRODUCTS

生成物

结构：COc1cc2cc(C(=O)OC(C)(C)C)c(N=CN(C)C)cc2cc1OCc1ccccc1

HCID11316468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c8875a66ee04e6c970e552b9534536c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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