Hydrogen Bromide → Hydrogen Bromide

HRID 207994Notes

Reaction equation

HRID 207994 reaction equation
[BrH:39].[CH3:40][CH:41]([CH2:42][C:43](=[O:44])[CH3:45])[CH3:46].[CH3:47][CH2:48][OH:49].[Cl:17][CH2:18][CH2:19][CH2:20][n:21]1[c:22](=[O:30])[nH:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][cH:29]2.[I-:38].[K+:37].[NH:1]1[CH2:2][CH2:3][CH:4]([c:7]2[n:8][o:9][c:10]3[c:11]2[cH:12][cH:13][c:14]([Cl:16])[cH:15]3)[CH2:5][CH2:6]1.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36]>>[BrH:39].[N:1]1([CH2:18][CH2:19][CH2:20][n:21]2[c:22](=[O:30])[nH:23][c:24]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[CH2:2][CH2:3][CH:4]([c:7]2[n:8][o:9][c:10]3[c:11]2[cH:12][cH:13][c:14]([Cl:16])[cH:15]3)[CH2:5][CH2:6]1

Participants

11

Reactant 9

HCID 260Hydrogen BromideHCID 702EthanolHCID 813Potassium CationHCID 923Sodium ion2×HCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 18104191-(3-chloropropyl)-1,3-dihydro-2H-benzimidazol-2-oneHCID 13076430HCID 13076430, compound

Product 2

HCID 260Hydrogen BromideHCID 130784023-[3-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one

Sources & evidence

ORD record
ord-65ea7b72aeeb4f89ac3aafc0be247ce7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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