Hydrochloric Acid → 3-(Dipropylcarbamoyl)benzoic acid

HRID 87256Notes

Reaction equation

HRID 87256 reaction equation
[CH2:43]([CH2:44][CH3:45])[NH:46][CH2:47][CH2:48][CH3:49].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:15][N:16]([CH3:17])[CH2:18][CH2:19][CH2:20][N:21]=[C:22]=[N:23][CH2:24][CH3:25].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12]1)=[O:13].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[ClH:14].[Li+:50].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH-:51].[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[C:3]([c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12]1)(=[O:13])[N:46]([CH2:43][CH2:44][CH3:45])[CH2:47][CH2:48][CH3:49]

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 8902DipropylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 28486Lithium ionHCID 757711-HydroxybenzotriazoleHCID 6018803-(Methoxycarbonyl)benzoic acid

Product 1

HCID 1827693-(Dipropylcarbamoyl)benzoic acid

Sources & evidence

ORD record
ord-2218238b6073446d95c4f77f39aceba2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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