HRID1537935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6276

1-Pentanol

C5H12O

HCID8471

Triethylamine

C6H15N

HCID66057

2-Methylpiperazine

C5H12N2

结构：Cc1ccc(S(=O)(=O)n2ccc3c(-c4c(C)nc5ccc(Cl)nn45)ccnc32)cc1

HCID58046368

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3c(-c4c(C)nc5ccc(N6CCNC(C)C6)nn45)ccnc32)cc1

HCID67016521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e28ec688fbf4120b2d469b6bdfdef66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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