Hydrochloric Acid → Hydrochloric Acid

HRID 196387Notes

Reaction equation

HRID 196387 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH2:1]([OH:2])[CH2:3][CH2:4][CH2:5][CH3:6].[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[ClH:38].[ClH:61].[ClH:7].[ClH:84].[K+:36].[K+:37].[NH2:62][CH2:63][c:64]1[c:65]([NH:77][CH:78]2[CH2:79][CH2:80][O:81][CH2:82][CH2:83]2)[c:66]2[c:67]([n:68][c:69]1[CH2:70][CH3:71])[n:72]([CH2:75][CH3:76])[n:73][cH:74]2.[OH2:50].[OH2:85].[OH:51][n:52]1[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1.[OH:8][CH2:9][CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19](=[O:20])[NH:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]1)[CH3:31]>>[ClH:7].[OH:8][CH2:9][CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19](=[O:20])[NH:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:28])[NH:62][CH2:63][c:64]2[c:65]([NH:77][CH:78]3[CH2:79][CH2:80][O:81][CH2:82][CH2:83]3)[c:66]3[c:67]([n:68][c:69]2[CH2:70][CH3:71])[n:72]([CH2:75][CH3:76])[n:73][cH:74]3)[cH:29][cH:30]1)[CH3:31]

Participants

11

Reactant 9

HCID 313Hydrochloric Acid4×HCID 813Potassium Cation2×HCID 962Water2×HCID 62761-PentanolHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 19660Carbonate IonHCID 757711-HydroxybenzotriazoleHCID 58024773HCID 58024773, compoundHCID 596832145-(Aminomethyl)-1,6-diethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine

Product 2

HCID 313Hydrochloric AcidHCID 23729488HCID 23729488, compound

Sources & evidence

ORD record
ord-0119218cab404be58bc2eb1451a19350
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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