Bicarbonate Ion → 2-(Chloroacetyl)-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline

HRID 1571285Notes

Reaction equation

HRID 1571285 reaction equation
[C:1]([CH:2]([CH:3]([C:4]([OH:5])=[O:6])[OH:7])[OH:8])([OH:9])=[O:10].[C:27](=[O:28])([OH:29])[O-:30].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[CH:11]1([CH:17]2[NH:18][CH2:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]32)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1.[Cl:32][CH2:33][C:34](=[O:35])[Cl:36].[Na+:31]>>[CH:11]1([CH:17]2[N:18]([C:34]([CH2:33][Cl:32])=[O:35])[CH2:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]32)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 8752,3-Dihydroxybutanedioic AcidHCID 923Sodium ionHCID 6577Chloroacetyl chlorideHCID 8857Ethyl AcetateHCID 5834531-Cyclohexyl-1,2,3,4-tetrahydro-isoquinoline

Product 1

HCID 675372192-(Chloroacetyl)-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline

Sources & evidence

ORD record
ord-cc5527b594214a0995bdfcadba7bdd76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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