Water → HCID 57736547, compound

HRID 134702Notes

Reaction equation

HRID 134702 reaction equation
[Br:12][c:13]1[n:14][cH:15][c:16]([CH:20]([S:21][c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[c:29]2[c:30]([F:36])[cH:31][cH:32][c:33]([F:35])[cH:34]2)[c:17]([CH3:19])[cH:18]1.[CH2:7]([Li:8])[CH2:9][CH2:10][CH3:11].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[CH3:37][N:38]([CH:39]=[O:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[OH2:55]>>[c:13]1([CH:39]=[O:40])[n:14][cH:15][c:16]([CH:20]([S:21][c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[c:29]2[c:30]([F:36])[cH:31][cH:32][c:33]([F:35])[cH:34]2)[c:17]([CH3:19])[cH:18]1

Participants

8

Reactant 7

HCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 57736453HCID 57736453, compoundHCID 178418339Butyllithium

Product 1

HCID 57736547HCID 57736547, compound

Sources & evidence

ORD record
ord-a8b9d35b03e342ceba68d238a7104f4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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