Acetone → HCID 19753252, compound

HRID 157498Notes

Reaction equation

HRID 157498 reaction equation
[C:1](=[O:2])([OH:3])[O-:4].[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[O:23][C:24](=[O:25])[Cl:26].[CH3:33][C:34](=[O:35])[CH3:36].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[NH2:6][c:7]1[cH:8][c:9]2[c:13]([cH:14][cH:15]1)[CH2:12][CH2:11][CH2:10]2.[Na+:32].[Na+:5].[OH2:37].[S:27]([O-:28])([OH:29])(=[O:30])=[O:31]>>[NH:6]([c:7]1[cH:8][c:9]2[c:13]([cH:14][cH:15]1)[CH2:12][CH2:11][CH2:10]2)[C:24]([O:23][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:25]

Participants

9

Reactant 8

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 10387Benzyl chloroformateHCID 61778Sulfate, hydrogenHCID 90496Indan-5-amine

Product 1

HCID 19753252HCID 19753252, compound

Sources & evidence

ORD record
ord-c9f934455e0848ae8e36ab08831f8c2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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