HRID1545363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID258688

2,3-Dimethyl-1H-indol-5-ylamine

C10H12N2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1

HCID59258651

未命名化合物

PRODUCTS

生成物

结构：Cc1[nH]c2ccc(NC(=O)c3cc(OCCN4CCOCC4)nc(N4CCOCC4)n3)cc2c1C

HCID11576605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5241722a033343caa252ea4b68abc5e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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