Acetone → N-[1-(2-Morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide

HRID 202630Notes

Reaction equation

HRID 202630 reaction equation
[CH3:43][C:44](=[O:45])[CH3:46].[Cl:28][CH2:29][CH2:30][N:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[ClH:27].[K+:37].[K+:38].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[n:11][c:12]3[c:13]([nH:14]2)[cH:15][cH:16][cH:17][cH:18]3)[cH:19][cH:20][cH:21]1.[Na+:51].[O-:39][C:40]([O-:41])=[O:42].[O-:47][C:48]([OH:49])=[O:50].[O:22]=[CH:23][N:24]([CH3:25])[CH3:26]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[n:11]([CH2:29][CH2:30][N:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[c:12]3[c:13]([n:14]2)[cH:15][cH:16][cH:17][cH:18]3)[cH:19][cH:20][cH:21]1

Participants

10

Reactant 9

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 767274-(2-Chloroethyl)morpholineHCID 3572750HCID 3572750, compound

Product 1

HCID 11983295N-[1-(2-Morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide

Sources & evidence

ORD record
ord-fba0d5cfcdcd4c37bdd1cec3851ba67d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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