Hydrochloric Acid → HCID 10311350, compound

HRID 676184Notes

Reaction equation

HRID 676184 reaction equation
[C:60](=[O:61])([O-:62])[OH:63].[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[ClH:48].[NH:1]1[CH2:2][CH2:3][CH:4]([C:7](=[O:8])[NH:9][c:10]2[c:11]([C:19](=[O:20])[NH:21][c:22]3[n:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[o:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[CH2:5][CH2:6]1.[Na+:64].[OH2:70].[OH:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][cH:35][n:36][cH:37]1.[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[N:1]1([C:30](=[O:29])[c:32]2[cH:33][cH:34][cH:35][n:36][cH:37]2)[CH2:2][CH2:3][CH:4]([C:7](=[O:8])[NH:9][c:10]2[c:11]([C:19](=[O:20])[NH:21][c:22]3[n:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[o:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[CH2:5][CH2:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 938Nicotinic AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 23062699HCID 23062699, compound

Product 1

HCID 10311350HCID 10311350, compound

Sources & evidence

ORD record
ord-c895ecaf34a84d87be6872dfe7f7dcb2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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