Hydrochloric Acid → Hydrochloric Acid

HRID 1572107Notes

Reaction equation

HRID 1572107 reaction equation
[C:51](=[O:52])([OH:53])[O-:54].[CH3:1][n:2]1[c:3]([C:28](=[O:29])[OH:30])[cH:4][c:5]([NH:7][C:8](=[O:9])[c:10]2[n:11]([CH3:27])[cH:12][c:13]([NH:15][C:16](=[O:17])[c:18]3[n:19]([CH3:26])[cH:20][c:21]([N+:23](=[O:24])[O-:25])[cH:22]3)[cH:14]2)[cH:6]1.[ClH:31].[ClH:32].[NH2:33][CH2:34][CH2:35][NH:36][C:37](=[NH:38])[NH2:39].[Na+:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:40].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:1][n:2]1[c:3]([C:28](=[O:29])[NH:33][CH2:34][CH2:35][NH:36][C:37](=[NH:38])[NH2:39])[cH:4][c:5]([NH:7][C:8](=[O:9])[c:10]2[n:11]([CH3:27])[cH:12][c:13]([NH:15][C:16](=[O:17])[c:18]3[n:19]([CH3:26])[cH:20][c:21]([N+:23](=[O:24])[O-:25])[cH:22]3)[cH:14]2)[cH:6]1.[ClH:31]

Participants

10

Reactant 8

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 11729362HCID 11729362, compoundHCID 178513002HCID 178513002, compound

Product 2

HCID 313Hydrochloric AcidHCID 178481051HCID 178481051, compound

Sources & evidence

ORD record
ord-94e1a63998ca43a09d8f6f5c48b4e9c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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