3-Pyridineacetic acid → Hydrochloric Acid

HRID 2315411Notes

Reaction equation

HRID 2315411 reaction equation
[CH3:31][N:32]([CH3:33])[CH2:34][CH2:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH3:41].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[Cl:59][CH2:60][Cl:61].[ClH:1].[ClH:30].[ClH:42].[NH2:2][CH2:3][c:4]1[s:5][c:6](-[c:17]2[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]2)[c:7](-[c:9]2[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:8]1.[Na+:25].[OH2:58].[OH:26][C:27](=[O:28])[O-:29].[n:43]1[cH:44][c:45]([CH2:49][C:50](=[O:51])[OH:52])[cH:46][cH:47][cH:48]1>>[ClH:1].[NH:2]([CH2:3][c:4]1[s:5][c:6](-[c:17]2[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]2)[c:7](-[c:9]2[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:8]1)[C:50]([CH2:49][c:45]1[cH:44][n:43][cH:48][cH:47][cH:46]1)=[O:51]

Participants

11

Reactant 9

HCID 1083-Pyridineacetic acidHCID 313Hydrochloric Acid3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 99736622-Aminomethyl-4,5-bis(4-methoxyphenyl)thiazole

Product 2

HCID 313Hydrochloric AcidHCID 19748892N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-3-ylacetamide

Sources & evidence

ORD record
ord-c735872657a24ef899bcd8379993f033
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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