Acetone → HCID 66707197, compound

HRID 2319519Notes

Reaction equation

HRID 2319519 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([SH:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[C:37](=[O:38])([O-:39])[O-:40].[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][c:29]1[cH:30][cH:31][c:32]([CH2:33][Cl:34])[cH:35][cH:36]1.[CH3:45][C:46](=[O:47])[CH3:48].[I-:44].[K+:41].[K+:42].[K+:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH2:33][c:32]3[cH:31][cH:30][c:29]([O:28][CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:36][cH:35]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation3×HCID 19660Carbonate IonHCID 30165Iodide IonHCID 700424-Benzyloxybenzyl chlorideHCID 667069003-tert-butoxycarbonyl-7-chloro-6-mercapto-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 66707197HCID 66707197, compound

Sources & evidence

ORD record
ord-30935239704e4a7786a99c773f353fd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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