HRID308709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8900

Heptane

C7H16

HCID11668

Ethanesulfonic acid

C2H6O3S

结构：CC1(C)CC(c2ccccc2N2CCN(CC3CC3)CC2)CC(C)(C)C1

HCID11302685

未命名化合物

PRODUCTS

生成物

HCID11668

Ethanesulfonic acid

C2H6O3S

HCID11302685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9421f737035047c1b4e559f6c9492df1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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