Chloride → 1-[3-Methoxy-9-(4-methoxy-phenyl)-4b,5,6,7,8,8a,9,10-octahydro-phenanthren-2-yl]-ethanone

HRID 1116846Notes

Reaction equation

HRID 1116846 reaction equation
[Al+3:26].[CH2:35]([Cl:36])[Cl:37].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:14]([cH:15][cH:16]1)[CH2:13][CH:12]([c:17]1[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]1)[CH:11]1[CH:6]2[CH2:7][CH2:8][CH2:9][CH2:10]1.[CH3:29][C:30]([Cl:31])=[O:32].[Cl-:25].[Cl-:27].[Cl-:28].[ClH:33].[OH2:34]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:14]([cH:15][c:16]1[C:30]([CH3:29])=[O:32])[CH2:13][CH:12]([c:17]1[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]1)[CH:11]1[CH:6]2[CH2:7][CH2:8][CH2:9][CH2:10]1

Participants

8

Reactant 7

HCID 312Chloride3×HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 104727Aluminum CationHCID 666521086-Methoxy-10-(4-methoxy-phenyl)-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene

Product 1

HCID 666521131-[3-Methoxy-9-(4-methoxy-phenyl)-4b,5,6,7,8,8a,9,10-octahydro-phenanthren-2-yl]-ethanone

Sources & evidence

ORD record
ord-30813b62a8134dafa14221fd5b4c137b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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