Bromide ion → HCID 57857123, compound

HRID 116585Notes

Reaction equation

HRID 116585 reaction equation
[Br-:47].[Br:36][CH2:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44].[CH3:48][C:49]#[N:50].[I-:45].[K+:30].[K+:31].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[c:10]([NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[cH:11][cH:12][c:13](-[c:15]3[cH:16][s:17][cH:18][cH:19]3)[cH:14]2)[cH:28][cH:29]1.[Na+:46].[O-:32][C:33]([O-:34])=[O:35]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[c:10]([NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[cH:11][cH:12][c:13](-[c:15]3[cH:16][s:17][cH:18][cH:19]3)[cH:14]2)[cH:28][cH:29]1)[CH2:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44]

Participants

9

Reactant 8

HCID 259Bromide ionHCID 813Potassium Cation2×HCID 923Sodium ionHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 79177tert-Butyl bromoacetateHCID 68985357HCID 68985357, compound

Product 1

HCID 57857123HCID 57857123, compound

Sources & evidence

ORD record
ord-a8985737b1c541ee8854f9696294a900
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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