Hydrogen Bromide → ethyl [2-[4-[[1-(4-thiazolylmethyl)-1H-benzimidazol-2-yl]amino]-1-piperidinyl]ethyl]carbamate

HRID 1556633Notes

Reaction equation

HRID 1556633 reaction equation
[BrH:11].[BrH:12].[BrH:13].[CH3:45][N:46]([CH3:47])[C:48](=[O:49])[CH3:50].[Cl:1][CH2:2][CH2:3][NH:4][C:5]([O:6][CH2:7][CH3:8])=[O:9].[I-:43].[NH:14]1[CH2:15][CH2:16][CH:17]([NH:20][c:21]2[n:22][c:23]3[c:24]([n:25]2[CH2:26][c:27]2[n:28][cH:29][s:30][cH:31]2)[cH:32][cH:33][cH:34][cH:35]3)[CH2:18][CH2:19]1.[Na+:36].[Na+:37].[Na+:42].[O-:38][C:39](=[O:40])[O-:41].[OH2:10].[OH2:44]>>[CH2:2]([CH2:3][NH:4][C:5]([O:6][CH2:7][CH3:8])=[O:9])[N:14]1[CH2:15][CH2:16][CH:17]([NH:20][c:21]2[n:22][c:23]3[c:24]([n:25]2[CH2:26][c:27]2[n:28][cH:29][s:30][cH:31]2)[cH:32][cH:33][cH:34][cH:35]3)[CH2:18][CH2:19]1

Participants

9

Reactant 8

HCID 260Hydrogen Bromide3×HCID 923Sodium ion3×HCID 962Water2×HCID 19660Carbonate IonHCID 30165Iodide IonHCID 31374DimethylacetamideHCID 80621Ethyl 2-chloroethylcarbamateHCID 13588005HCID 13588005, compound

Product 1

HCID 15614723ethyl [2-[4-[[1-(4-thiazolylmethyl)-1H-benzimidazol-2-yl]amino]-1-piperidinyl]ethyl]carbamate

Sources & evidence

ORD record
ord-a3608329e8e8496ebd823297c81d3027
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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