Water → HCID 57736506, compound

HRID 120349Notes

Reaction equation

HRID 120349 reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([CH:9]([S:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[c:19]2[c:20]([F:26])[cH:21][cH:22][c:23]([F:25])[cH:24]2)[c:6]([CH3:8])[cH:7]1.[CH2:33]([Li:34])[CH2:35][CH2:36][CH3:37].[CH3:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32].[CH3:38][N:39]([CH:40]=[O:41])[CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[OH2:56]>>[c:2]1([CH:40]=[O:41])[n:3][cH:4][c:5]([CH:9]([S:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[c:19]2[c:20]([F:26])[cH:21][cH:22][c:23]([F:25])[cH:24]2)[c:6]([CH3:8])[cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 57736485HCID 57736485, compoundHCID 178418339Butyllithium

Product 1

HCID 57736506HCID 57736506, compound

Sources & evidence

ORD record
ord-70349647960a4a62a916bcf13548f1d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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