Water → HCID 57736424, compound

HRID 689252Notes

Reaction equation

HRID 689252 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][CH2:18][CH3:19])[cH:15][cH:16]2)[c:20]2[c:21]([F:27])[cH:22][cH:23][c:24]([F:26])[cH:25]2)[c:6]([CH3:8])[cH:7]1.[CH2:34]([Li:35])[CH2:36][CH2:37][CH3:38].[CH3:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33].[CH3:39][N:40]([CH:41]=[O:42])[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[OH2:57]>>[c:2]1([CH:41]=[O:42])[n:3][cH:4][c:5]([CH:9]([S:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][CH3:19])[cH:15][cH:16]2)[c:20]2[c:21]([F:27])[cH:22][cH:23][c:24]([F:26])[cH:25]2)[c:6]([CH3:8])[cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 57736423HCID 57736423, compoundHCID 178418339Butyllithium

Product 1

HCID 57736424HCID 57736424, compound

Sources & evidence

ORD record
ord-345ad171b54e4bb094b10c135da7e35b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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