HRID1231690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID53167

1-Methylpiperazine

C5H12N2

HCID53657903

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CN2CCN(C)CC2)nc2n1-c1ccccc1N(C)c1ccccc1-2

HCID21539214

3,9-Dimethyl-2-[(4-methyl-1-piperazinyl)methyl]-9H-dibenz[b,f]imidazo[1,2-d][1,4]diazepine

C23H27N5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d411945aadda4dd695aa1ba1f47eadf8
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][c:2]1[c:3]([CH2:21][OH:22])[n:4][c:5]2[n:6]1-[c:7]1[c:8]([cH:17][cH:18][cH:19][cH:20]1)[N:9]([CH3:16])[c:10]1[c:11]-2[cH:12][cH:13][cH:14][cH:15]1.[CH3:32][S:33](=[O:34])(=[O:35])[Cl:36].[CH3:37][N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH:28]([Cl:29])([Cl:30])[Cl:31].[O:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1>>[CH3:1][c:2]1[c:3]([CH2:21][N:41]2[CH2:40][CH2:39][N:38]([CH3:37])[CH2:43][CH2:42]2)[n:4][c:5]2[n:6]1-[c:7]1[c:8]([cH:17][cH:18][cH:19][cH:20]1)[N:9]([CH3:16])[c:10]1[c:11]-2[cH:12][cH:13][cH:14][cH:15]1