Hydrochloric Acid → 2-(2-Benzoylanilino)-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid

HRID 288300Notes

Reaction equation

HRID 288300 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([NH:15][CH:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[cH:30][c:31]([N:35]([C:36](=[O:37])[NH:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])[CH3:46])[cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[cH:11][cH:12][cH:13][cH:14]1.[CH3:56][OH:57].[ClH:50].[Li+:48].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH-:49].[OH2:47]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([NH:15][CH:16]([C:17](=[O:18])[OH:19])[CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[cH:30][c:31]([N:35]([C:36](=[O:37])[NH:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])[CH3:46])[cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[cH:11][cH:12][cH:13][cH:14]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 85124348HCID 85124348, compound

Product 1

HCID 684170922-(2-Benzoylanilino)-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid

Sources & evidence

ORD record
ord-f4add68db22c4625a9e8f8e730daef02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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