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

HRID 292311Notes

Reaction equation

HRID 292311 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[ClH:48].[Li+:1].[O:3]=[C:4]1[N:5]([CH:15]2[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][CH:24]([CH2:25][c:26]3[cH:27][c:28]([Cl:37])[c:29]([NH2:36])[c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]3)[C:38](=[O:39])[O:40][CH2:41][CH3:42])[CH2:19][CH2:20]2)[CH2:6][CH2:7][c:8]2[c:9]([cH:11][cH:12][cH:13][cH:14]2)[NH:10]1.[OH-:2].[OH2:49]>>[O:3]=[C:4]1[N:5]([CH:15]2[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][CH:24]([CH2:25][c:26]3[cH:27][c:28]([Cl:37])[c:29]([NH2:36])[c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]3)[C:38](=[O:39])[OH:40])[CH2:19][CH2:20]2)[CH2:6][CH2:7][c:8]2[c:9]([cH:11][cH:12][cH:13][cH:14]2)[NH:10]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 69195704HCID 69195704, compound

Product 1

HCID 669418853-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoic acid

Sources & evidence

ORD record
ord-2645f2099b554f85aead4b1bc1362bd3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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