HRID295092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1031

1-Propanol

C3H8O

HCID6212

Chloroform

CHCl3

结构：CCOC(=O)N1CCN(c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)CC1

HCID11374869

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(Nc2nccc(-c3ccc(N4CCNCC4)s3)n2)CC(C)(C)N1

HCID11440985

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f612dfeb4c64ba8807ab68b5d488fa9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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