Acetone → HCID 178431842, compound

HRID 313588Notes

Reaction equation

HRID 313588 reaction equation
[C:28](=[O:29])([OH:30])[O-:31].[CH3:44][C:45]([CH3:46])=[O:47].[ClH:42].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH:6]1[CH:7]2[N:8]([CH:9]([c:14]3[n:15][n:16][n:17][nH:18]3)[C:10]([CH3:12])([CH3:13])[S:11]2)[C:19]1=[O:20])[c:21]1[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]1.[Na+:32].[O:33]=[C:34]=[N:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[OH2:43]>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH:6]1[CH:7]2[N:8]([CH:9]([c:14]3[n:15][n:16][n:17][nH:18]3)[C:10]([CH3:12])([CH3:13])[S:11]2)[C:19]1=[O:20])[c:21]1[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]1)[C:34](=[O:33])[NH:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 7672Phenyl isocyanateHCID 178431837HCID 178431837, compound

Product 1

HCID 178431842HCID 178431842, compound

Sources & evidence

ORD record
ord-20561e15659c47ddaaa1c7f632f824e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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