Water → [1-(2-azidoethyl)-1H-benzimidazol-5-yl]-(3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl)methanone

HRID 123557

Reaction equation

HRID 123557 reaction equation
[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[CH:37]12[CH2:38][CH:39]([OH:45])[CH2:40][CH:41]([CH2:42][CH2:43]1)[NH:44]2.[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][n:6]1[cH:7][n:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([C:15](=[O:16])[OH:17])[cH:14]2.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:51].[OH:18][n:19]1[c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[n:26][n:27]1>>[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][n:6]1[cH:7][n:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([C:15](=[O:17])[N:44]1[CH:37]3[CH2:38][CH:39]([OH:45])[CH2:40][CH:41]1[CH2:42][CH2:43]3)[cH:14]2

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 681478-Azabicyclo[3.2.1]octan-3-olHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 866300581-(2-azidoethyl)-1H-benzimidazole-5-carboxylic acid

Product 1

HCID 86630059[1-(2-azidoethyl)-1H-benzimidazol-5-yl]-(3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl)methanone

Sources & evidence

ORD record
ord-0e7bb070518e4d4a9e17514ccee81f8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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