HRID688347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID642834

4-chloropyrimidine

C4H3ClN2

结构：O=C(C1CCNCC1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1

HCID12112019

[4-[(6-Chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-4-piperidinylmethanone

C20H24ClN3O3S

PRODUCTS

生成物

结构：O=C(C1CCN(c2ccncn2)CC1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1

HCID22721894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4d904bed9ac439481718286a753cb23
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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