Hydrochloric Acid → HCID 20360368, compound

HRID 663795Notes

Reaction equation

HRID 663795 reaction equation
[CH3:47][CH:48]([CH3:49])[CH2:50][C:51](=[O:52])[CH3:53].[Cl:21][c:22]1[cH:23][c:24]2[c:25]([n:26]([CH:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[c:27](=[O:29])[nH:28]2)[cH:36][cH:37]1.[Cl:2][CH2:3][CH2:4][NH:5][CH:6]([c:7]1[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]1)[c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1.[ClH:1].[I-:45].[K+:44].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:46]>>[CH2:3]([CH2:4][NH:5][CH:6]([c:7]1[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]1)[c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)[N:33]1[CH2:32][CH2:31][CH:30]([n:26]2[c:25]3[c:24]([cH:23][c:22]([Cl:21])[cH:37][cH:36]3)[nH:28][c:27]2=[O:29])[CH2:35][CH2:34]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 1046075-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-oneHCID 3017750HCID 3017750, compound

Product 1

HCID 20360368HCID 20360368, compound

Sources & evidence

ORD record
ord-e275e386e0b941c491096d51e3c0f393
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…