Acetic Acid → HCID 44232443, compound

HRID 93341Notes

Reaction equation

HRID 93341 reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[CH:1](=[O:2])[c:3]1[cH:4][c:5]([C:14](=[O:15])[OH:16])[c:6](=[O:13])[n:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[Cl:17][c:18]1[cH:19][c:20]2[c:25]([cH:26][cH:27]1)[CH2:24][NH:23][CH2:22][CH2:21]2.[Cl:32][CH:33]([Cl:34])[CH3:35]>>[CH2:1]([c:3]1[cH:4][c:5]([C:14](=[O:15])[OH:16])[c:6](=[O:13])[n:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[N:23]1[CH2:22][CH2:21][c:20]2[cH:19][c:18]([Cl:17])[cH:27][cH:26][c:25]2[CH2:24]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 63651,1-DichloroethaneHCID 117895946-Chloro-1,2,3,4-tetrahydroisoquinolineHCID 772314531-formyl-4-oxo-4H-quinolizine-3-carboxylic acid

Product 1

HCID 44232443HCID 44232443, compound

Sources & evidence

ORD record
ord-e6a78d1eaa24437dbb7672562d50a557
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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