Acetone → HCID 21162386, compound

HRID 700869Notes

Reaction equation

HRID 700869 reaction equation
[CH3:44][C:45](=[O:46])[CH3:47].[Cl:27][S:28]([OH:29])(=[O:30])=[O:31].[NH3:32].[Na+:34].[O:1]=[C:2]1[N:3]([C:12](=[O:13])[NH:14][CH2:15][CH2:16][c:17]2[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[NH2:26])[cH:21][cH:22]2)[CH2:4][CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21.[O:35]=[C:36]=[N:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:33].[OH2:48]>>[O:1]=[C:2]1[N:3]([C:12](=[O:13])[NH:14][CH2:15][CH2:16][c:17]2[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[NH:26][C:36](=[O:35])[NH:37][CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[cH:21][cH:22]2)[CH2:4][CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21

Participants

9

Reactant 8

HCID 180AcetoneHCID 222AmmoniaHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 18502Cyclohexyl isocyanateHCID 24638Chlorosulfonic acidHCID 21162326HCID 21162326, compound

Product 1

HCID 21162386HCID 21162386, compound

Sources & evidence

ORD record
ord-90152242be3b4dca9749dab219812a0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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