Hydrochloric Acid → N-(1,5-dimethyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide

HRID 1235286

Reaction equation

HRID 1235286 reaction equation
[CH2:34]([CH:35]([CH2:36][CH2:37][CH2:38][CH3:39])[C:40]([O-:41])=[O:42])[CH3:43].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[ClH:18].[NH2:19][CH:20]1[CH2:21][N:22]([CH3:33])[c:23]2[c:24]([cH:29][cH:30][cH:31][cH:32]2)[N:25]([CH3:28])[C:26]1=[O:27].[Na+:44].[OH:1][CH:2]1[CH:3]([O:16][CH3:17])[C:4](=[O:15])[O:5][CH:6]1[CH:7]([CH:8]=[CH:9][C:10]([CH3:11])([CH3:12])[CH3:13])[OH:14]>>[OH:1][CH:2]([CH:3]([C:4](=[O:15])[NH:19][CH:20]1[CH2:21][N:22]([CH3:33])[c:23]2[c:24]([cH:29][cH:30][cH:31][cH:32]2)[N:25]([CH3:28])[C:26]1=[O:27])[O:16][CH3:17])[CH:6]([OH:5])[CH:7]([CH:8]=[CH:9][C:10]([CH3:11])([CH3:12])[CH3:13])[OH:14]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 40723562-EthylhexanoateHCID 222882583-Amino-1,5-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-oneHCID 178493944HCID 178493944, compound

Product 1

HCID 178496408N-(1,5-dimethyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide

Sources & evidence

ORD record
ord-aad6d83150fb4807904123e40ace4f5e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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