HRID169069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID99027

1,2-Propanediamine, N1,N1-dimethyl-

C5H14N2

结构：O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)o1

HCID21951966

未命名化合物

PRODUCTS

生成物

结构：CC(CN(C)C)NCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)o1

HCID22609855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-affd96223e7e4657868729316ab44e74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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