Ethanol → HCID 20437341, compound

HRID 1552340Notes

Reaction equation

HRID 1552340 reaction equation
[CH2:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[NH:30][c:31]1[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]1.[CH2:47]([CH2:48][O:49][CH3:50])[O:51][CH3:52].[CH2:53]([Cl:54])[Cl:55].[CH3:44][CH2:45][OH:46].[CH3:56][C:57]([N:58]([CH3:59])[CH3:60])=[O:61].[H-:12].[Na+:13].[OH2:62].[S:40]([Cl:41])([Cl:42])=[O:43].[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[NH2:10])[cH:5][cH:6]1>>[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[NH:10][C:35]([c:34]2[cH:33][cH:32][c:31]([NH:30][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[cH:39][cH:38]2)=[O:36])[cH:5][cH:6]1

Participants

11

Reactant 10

HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 6269P-ToluenesulfonamideHCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 24386Thionyl ChlorideHCID 31374DimethylacetamideHCID 472634-(Hexadecylamino)benzoic acidHCID 166653Hydride

Product 1

HCID 20437341HCID 20437341, compound

Sources & evidence

ORD record
ord-873a95b5bc5d4f18bae024bb1d857d56
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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