Acetone → HCID 68880201, compound

HRID 2158537Notes

Reaction equation

HRID 2158537 reaction equation
[CH2:36]([Li:37])[CH2:38][CH2:39][CH3:40].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:41][C:42]([CH3:43])=[O:44].[CH:1]1([CH2:4][n:5]2[c:6]([CH3:35])[n:7][cH:8][c:9]2-[c:10]2[n:11][c:12]([NH:16][c:17]3[cH:18][cH:19][c:20]([S:23]([N:24]([C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29][CH2:30][O:31][CH3:32])(=[O:33])=[O:34])[cH:21][cH:22]3)[n:13][cH:14][cH:15]2)[CH2:2][CH2:3]1.[OH2:45]>>[CH:1]1([CH2:4][n:5]2[c:6]([CH2:35][C:42]([CH3:41])([CH3:43])[OH:44])[n:7][cH:8][c:9]2-[c:10]2[n:11][c:12]([NH:16][c:17]3[cH:18][cH:19][c:20]([S:23]([N:24]([C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29][CH2:30][O:31][CH3:32])(=[O:33])=[O:34])[cH:21][cH:22]3)[n:13][cH:14][cH:15]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 8028TetrahydrofuranHCID 68883960HCID 68883960, compoundHCID 178418339Butyllithium

Product 1

HCID 68880201HCID 68880201, compound

Sources & evidence

ORD record
ord-b393675adc1d4699811cae2f2d3efe8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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