HRID702012

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)cc2cc1OCCN1CCOCC1

HCID12062739

未命名化合物

PRODUCTS

生成物

结构：COc1cc2cc(C(=O)OC(C)(C)C)c(N=CN(C)C)cc2cc1OCCN1CCOCC1

HCID12062740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7526b97ff5e4bacaed84e4413e16812
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:28][CH3:29])[c:13]([O:19][CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[cH:14][c:15]2[cH:16][c:17]1[NH2:18].[CH3:30][O:31][CH:32]([N:33]([CH3:34])[CH3:35])[O:36][CH3:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]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:28][CH3:29])[c:13]([O:19][CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[cH:14][c:15]2[cH:16][c:17]1[N:18]=[CH:32][N:33]([CH3:34])[CH3:35]