Hydrochloric Acid → HCID 58125481, compound

HRID 116671Notes

Reaction equation

HRID 116671 reaction equation
[CH3:14][N:15]([CH3:16])[CH2:17][CH2:18][CH2:19][N:20]=[C:21]=[N:22][CH2:23][CH3:24].[CH3:46][NH:47][O:48][CH3:49].[CH3:55][N:56]([CH3:57])[c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1.[CH3:64][C:65]#[N:66].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[ClH:13].[ClH:45].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[OH2:25].[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1.[n:1]1[cH:2][c:3]([C:10](=[O:11])[OH:12])[c:4]2[n:9]1[CH2:8][CH2:7][CH2:6][O:5]2>>[n:1]1[cH:2][c:3]([C:10](=[O:12])[N:47]([CH3:46])[O:48][CH3:49])[c:4]2[n:9]1[CH2:8][CH2:7][CH2:6][O:5]2

Participants

12

Reactant 11

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6342AcetonitrileHCID 14232N,O-DimethylhydroxylamineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 522281256,7-Dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid

Product 1

HCID 58125481HCID 58125481, compound

Sources & evidence

ORD record
ord-012886f28f424603b8b603d26c70b9b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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