Hydrochloric Acid → HCID 22141280, compound

HRID 2125215Notes

Reaction equation

HRID 2125215 reaction equation
[C:56](=[O:57])([O-:58])[OH:59].[CH3:1][O:2][c:3]1[c:4]([CH2:9][CH2:10][C:11](=[O:12])[OH:13])[cH:5][cH:6][cH:7][cH:8]1.[CH3:26][N:27]([CH3:28])[CH2:29][CH2:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH3:36].[CH3:38][C:39]1([c:45]2[cH:46][c:47]([NH:51][S:52](=[O:53])(=[O:54])[CH3:55])[cH:48][cH:49][cH:50]2)[CH:40]2[CH2:41][NH:42][CH2:43][CH:44]12.[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[ClH:25].[ClH:37].[Na+:60].[OH2:14].[OH:15][n:16]1[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:9][CH2:10][C:11](=[O:13])[N:42]2[CH2:41][CH:40]3[C:39]([CH3:38])([c:45]4[cH:46][c:47]([NH:51][S:52](=[O:53])(=[O:54])[CH3:55])[cH:48][cH:49][cH:50]4)[CH:44]3[CH2:43]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 806523-(o-Methoxyphenyl)propionic acidHCID 22141143N-[3-(6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl)methanesulfonamide

Product 1

HCID 22141280HCID 22141280, compound

Sources & evidence

ORD record
ord-9e6a217f9a3e442f9bff119e57207652
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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