Hydrochloric Acid → Hydrochloric Acid

HRID 1141132Notes

Reaction equation

HRID 1141132 reaction equation
[CH2:3]([CH3:4])[O:5][C:6]([C:7]([NH:8][C:9]([c:10]1[cH:11][c:12]([C:16]2=[N:17][C:18]([CH3:36])([CH3:37])[CH2:19][c:20]3[c:21]([CH2:33][C:34]#[N:35])[c:22]([O:31][CH3:32])[c:23]4[c:24]([c:25]32)[CH2:26][C:27]([CH3:29])([CH3:30])[O:28]4)[cH:13][cH:14][cH:15]1)=[O:38])([CH3:39])[CH3:40])=[O:41].[CH3:43][CH2:44][OH:45].[ClH:42].[Na+:2].[OH-:1]>>[ClH:42].[O:5]=[C:6]([C:7]([NH:8][C:9]([c:10]1[cH:11][c:12]([C:16]2=[N:17][C:18]([CH3:36])([CH3:37])[CH2:19][c:20]3[c:21]([CH2:33][C:34]#[N:35])[c:22]([O:31][CH3:32])[c:23]4[c:24]([c:25]32)[CH2:26][C:27]([CH3:29])([CH3:30])[O:28]4)[cH:13][cH:14][cH:15]1)=[O:38])([CH3:39])[CH3:40])[OH:41]

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 22343649N-[3-[5-(Cyanomethyl)-3,4,8,9-tetrahydro-6-methoxy-3,3,8,8-tetramethylfuro[2,3-h]isoquinolin-1-yl]benzoyl]-2-methylalanine ethyl ester

Product 2

HCID 313Hydrochloric AcidHCID 223440652-[[3-[5-(Cyanomethyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl]benzoyl]amino]-2-methylpropanoic acid

Sources & evidence

ORD record
ord-d4e4b34de6ed430fb1986f682a4bdd31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…