HRID1240839

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID66589940

未命名化合物

HCID178489815

未命名化合物

PRODUCTS

生成物

结构：COCC1CN(c2ncc(C(=O)Nc3cc(CCc4cc(OC)cc(OC)c4)n[nH]3)cn2)CCN1

HCID178494581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77fee84414a94f67832c3edb735fbfa7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:23][O:24][CH2:25][CH:26]1[CH2:27][N:28]([c:32]2[n:33][cH:34][c:35]([C:38](=[O:39])[O:40][CH3:41])[cH:36][n:37]2)[CH2:29][CH2:30][NH:31]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][OH:51].[CH3:5][O:6][c:7]1[cH:8][c:9]([CH2:15][CH2:16][c:17]2[cH:18][c:19]([NH2:22])[nH:20][n:21]2)[cH:10][c:11]([O:13][CH3:14])[cH:12]1.[ClH:42]>>[CH3:5][O:6][c:7]1[cH:8][c:9]([CH2:15][CH2:16][c:17]2[cH:18][c:19]([NH:22][C:38]([c:35]3[cH:34][n:33][c:32]([N:28]4[CH2:27][CH:26]([CH2:25][O:24][CH3:23])[NH:31][CH2:30][CH2:29]4)[n:37][cH:36]3)=[O:39])[nH:20][n:21]2)[cH:10][c:11]([O:13][CH3:14])[cH:12]1