Hydrochloric Acid → HCID 178472061, compound

HRID 297765Notes

Reaction equation

HRID 297765 reaction equation
[CH3:46][CH2:47][OH:48].[ClH:37].[NH2:38][OH:39].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[c:1]1([N:7]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14]([CH3:27])[c:15]([CH2:17][NH:18][c:19]4[cH:20][cH:21][c:22]([C:25]#[N:26])[cH:23][cH:24]4)[n:16]3)[cH:28][cH:29]2)[CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([N:7]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14]([CH3:27])[c:15]([CH2:17][NH:18][c:19]4[cH:20][cH:21][c:22]([C:25](=[NH:26])[NH:38][OH:39])[cH:23][cH:24]4)[n:16]3)[cH:28][cH:29]2)[CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 787HydroxylamineHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 184125221-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)amide

Product 1

HCID 178472061HCID 178472061, compound

Sources & evidence

ORD record
ord-f2fdabb7862748eb82082e2a44f7589e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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