Hydrochloric Acid → 3-(3-chloro-4-hydroxy-5-methylphenyl)-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoic acid

HRID 1222964Notes

Reaction equation

HRID 1222964 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:48][OH:49].[ClH:47].[H:43][H:44].[Li+:46].[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:39][cH:40][cH:41][cH:42]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH2:19][c:20]2[cH:21][c:22]([Cl:35])[c:23]([O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:24]([CH3:26])[cH:25]2)[C:36](=[O:37])[OH:38])[CH2:13][CH2:14]1.[OH-:45].[OH2:50].[Rh:51]>>[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:39][cH:40][cH:41][cH:42]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH2:19][c:20]2[cH:21][c:22]([Cl:35])[c:23]([OH:27])[c:24]([CH3:26])[cH:25]2)[C:36](=[O:37])[OH:38])[CH2:13][CH2:14]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 23948RhodiumHCID 28486Lithium ionHCID 669418473-(3-chloro-5-methyl-4-phenylmethoxyphenyl)-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoic acidHCID 178418361HCID 178418361, compound

Product 1

HCID 669417433-(3-chloro-4-hydroxy-5-methylphenyl)-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoic acid

Sources & evidence

ORD record
ord-a893412aa0424b74a5569ae4ab731618
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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