Ethanol → 2-Amino-ethanesulfonic acid (1-isopropyl-piperidin-4-yl)-amide

HRID 89393Notes

Reaction equation

HRID 89393 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:38][CH2:39][OH:40].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([NH:10][S:11](=[O:12])(=[O:13])[CH2:14][CH2:15][N:16]2[C:17](=[O:18])[c:19]3[c:20]([cH:21][cH:22][cH:23][cH:24]3)[C:25]2=[O:26])[CH2:8][CH2:9]1.[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([NH:10][S:11](=[O:12])(=[O:13])[CH2:14][CH2:15][NH2:16])[CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 702EthanolHCID 6101p-Toluenesulfonic acidHCID 8028TetrahydrofuranHCID 666250362-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethanesulfonic acid (1-isopropyl-piperidin-4-yl)-amide

Product 1

HCID 666246312-Amino-ethanesulfonic acid (1-isopropyl-piperidin-4-yl)-amide

Sources & evidence

ORD record
ord-ebe3d6fd4bcf4dffa7227bc1001ae080
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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