Acetone → HCID 18976214, compound

HRID 167120Notes

Reaction equation

HRID 167120 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][C:46](=[O:47])[CH3:48].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][C:8]2([CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[C:9](=[O:17])[NH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[cH:25][cH:26][c:27]1[Cl:28].[K+:43].[K+:44].[c:29]1([CH2:35][CH2:36][CH2:37][Br:38])[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][C:8]2([CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[C:9](=[O:17])[N:10]([CH2:37][CH2:36][CH2:35][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[cH:25][cH:26][c:27]1[Cl:28]

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 12503(3-Bromopropyl)benzeneHCID 19660Carbonate IonHCID 18976195HCID 18976195, compound

Product 1

HCID 18976214HCID 18976214, compound

Sources & evidence

ORD record
ord-0a30e0ff31914cb28c81e069229854d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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