HRID123179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1031

1-Propanol

C3H8O

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

结构：CCC1CC(NS(=O)(=O)C2CC2)CC1NCCCc1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1Cl

HCID76829111

未命名化合物

PRODUCTS

生成物

结构：CCC1CC(NS(=O)(=O)C2CC2)CC1N1CCCc2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c21

HCID76828962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61ec86eb54f24d7da72e16d243c06373
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:50]([OH:51])[CH2:52][CH3:53].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[CH2:8][CH2:9][CH2:10][NH:11][CH:12]1[CH2:13][CH:14]([NH:19][S:20](=[O:21])(=[O:22])[CH:23]3[CH2:24][CH2:25]3)[CH2:15][CH:16]1[CH2:17][CH3:18])[n:26]([S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]1)[cH:27][cH:28]2.[I-:49].[K+:48]>>[c:2]12[c:3]3[c:4]([n:5][cH:6][c:7]1[CH2:8][CH2:9][CH2:10][N:11]2[CH:12]1[CH2:13][CH:14]([NH:19][S:20](=[O:21])(=[O:22])[CH:23]2[CH2:24][CH2:25]2)[CH2:15][CH:16]1[CH2:17][CH3:18])[n:26]([S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]1)[cH:27][cH:28]3