Ethanol → HCID 22164933, compound

HRID 168717Notes

Reaction equation

HRID 168717 reaction equation
[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:24][N:25]=[C:26]=[S:27].[CH3:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33].[CH3:34][CH2:35][OH:36].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:49][N:50]([CH3:51])[P:52](=[O:53])([N:54]([CH3:55])[CH3:56])[N:57]([CH3:58])[CH3:59].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:43].[c:13]1([CH:19]2[S:20][CH2:21][CH2:22][CH2:23]2)[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[c:13]1([C:19]2([C:26]([NH:25][CH3:24])=[S:27])[S:20][CH2:21][CH2:22][CH2:23]2)[cH:14][cH:15][cH:16][cH:17][cH:18]1

Participants

11

Reactant 10

HCID 702EthanolHCID 962WaterHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 11167Methyl isothiocyanateHCID 12679HexamethylphosphoramideHCID 5962882-PhenylthiolaneHCID 178418339Butyllithium

Product 1

HCID 22164933HCID 22164933, compound

Sources & evidence

ORD record
ord-e8d70580883a4ef180faef2bd764a083
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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