HRID1135603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID887

Methanol

CH4O

HCID70284

2-(4-Methylpiperazin-1-yl)ethanamine

C7H17N3

结构：CC(C)c1cc(Nc2cc(Cl)nc(NCc3cc(-c4ccccc4)no3)n2)n[nH]1

HCID57866448

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(Nc2cc(NCCN3CCN(C)CC3)nc(NCc3cc(-c4ccccc4)no3)n2)n[nH]1

HCID59757794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ad796080bf94dab9e59e098ee17f9e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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