Hydrochloric Acid → HCID 178446108, compound

HRID 109756Notes

Reaction equation

HRID 109756 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9](=[O:34])[n:10]([CH2:17][c:18]2[n:19][c:20]3[c:21]([n:22]2[CH2:23][CH2:24][CH:25]([CH3:26])[CH3:27])[cH:28][cH:29][c:30]([C:32]#[N:33])[cH:31]3)[c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2)=[O:35].[CH3:45][CH2:46][OH:47].[ClH:36].[K+:39].[K+:40].[NH2:37][OH:38].[O-:41][C:42]([O-:43])=[O:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9](=[O:34])[n:10]([CH2:17][c:18]2[n:19][c:20]3[c:21]([n:22]2[CH2:23][CH2:24][CH:25]([CH3:26])[CH3:27])[cH:28][cH:29][c:30]([C:32](=[NH:33])[NH:37][OH:38])[cH:31]3)[c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2)=[O:35]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 787HydroxylamineHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 20814119{3-[5-Cyano-1-(3-methyl-butyl)-1H-benzoimidazol-2-ylmethyl]-2-oxo-2,3-dihydro-benzoimidazol-1-yl}-acetic acid tert-butyl ester

Product 1

HCID 178446108HCID 178446108, compound

Sources & evidence

ORD record
ord-75f832dcd61246fda0806562f3d0fdd5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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