Acetone → BM 27

HRID 1539919Notes

Reaction equation

HRID 1539919 reaction equation
[CH3:32][C:33](=[O:34])[CH3:35].[CH:22]1([N:29]=[C:30]=[O:31])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[CH:4]1([NH:11][c:12]2[c:13]([S:18](=[O:19])(=[O:20])[NH2:21])[cH:14][n:15][cH:16][cH:17]2)[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1.[Na+:2].[OH-:1].[OH2:3]>>[CH:4]1([NH:11][c:12]2[c:13]([S:18](=[O:19])(=[O:20])[NH:21][C:30]([NH:29][CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]3)=[O:31])[cH:14][n:15][cH:16][cH:17]2)[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 3356886Cycloheptyl isocyanateHCID 15135616HCID 15135616, compound

Product 1

HCID 132544BM 27

Sources & evidence

ORD record
ord-7413d486205643f28cb87cd21c68cf30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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