Hydrochloric Acid → 7-O-tert-butyl 8-O-methyl 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7,8-dicarboxylate

HRID 2132878Notes

Reaction equation

HRID 2132878 reaction equation
[C:72](=[O:73])([OH:74])[O-:75].[CH2:50]([SiH:51]([CH2:52][CH3:53])[CH2:54][CH3:55])[CH3:56].[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:7][c:8]2[cH:9][c:10]3[c:11]([cH:12][c:13]2[CH2:14]1)[O:15][CH2:16][C:17]([OH:19])([c:20]1[cH:21][cH:22][c:23]([O:26][CH2:27][c:28]2[cH:29][c:30]([Cl:35])[c:31]([Cl:34])[cH:32][cH:33]2)[cH:24][cH:25]1)[O:18]3.[CH3:57][C:58]([O:59][C:60]([O:61][C:62]([O:63][C:64]([CH3:65])([CH3:66])[CH3:67])=[O:68])=[O:69])([CH3:70])[CH3:71].[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[Cl:78][CH2:79][Cl:80].[ClH:77].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49].[Na+:76]>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:7][c:8]2[cH:9][c:10]3[c:11]([cH:12][c:13]2[CH2:14]1)[O:15][CH2:16][CH:17]([c:20]1[cH:21][cH:22][c:23]([O:26][CH2:27][c:28]2[cH:29][c:30]([Cl:35])[c:31]([Cl:34])[cH:32][cH:33]2)[cH:24][cH:25]1)[O:18]3

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 12052TriethylsilaneHCID 90495Di-tert-butyl dicarbonateHCID 667192377-O-tert-butyl 8-O-methyl 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-3-hydroxy-2,6,8,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-7,8-dicarboxylate

Product 1

HCID 667192887-O-tert-butyl 8-O-methyl 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7,8-dicarboxylate

Sources & evidence

ORD record
ord-51373b62f52a414993346ca2f24c5c30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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