Sodium ion → 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol

HRID 2318804Notes

Reaction equation

HRID 2318804 reaction equation
[C:30]([O-:31])(=[O:32])[C:33]([O-:34])=[O:35].[CH2:18]([CH3:19])[C:20]1([c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[O:21][CH2:22]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[Cl:3][c:4]1[cH:5][c:6]2[c:7]3[c:8]([nH:9][c:10]2[cH:11][cH:12]1)[CH2:13][CH2:14][N:15]([CH3:17])[CH2:16]3.[H-:1].[Na+:2].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH:36][C:37]([C:38](=[O:39])[OH:40])=[O:41]>>[Cl:3][c:4]1[cH:5][c:6]2[c:7]3[c:8]([n:9]([CH2:22][C:20]([CH2:18][CH3:19])([OH:21])[c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[c:10]2[cH:11][cH:12]1)[CH2:13][CH2:14][N:15]([CH3:17])[CH2:16]3

Participants

9

Reactant 8

HCID 923Sodium ionHCID 971Oxalic AcidHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 196158-chloro-2-methyl-1H,2H,3H,4H,5H-pyrido(4,3-b)indoleHCID 71081OxalateHCID 166653HydrideHCID 594552622-Ethyl-2-(4-fluorophenyl)oxirane

Product 1

HCID 578760851-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol

Sources & evidence

ORD record
ord-2fbd793bf6c34ec3921f5969834278b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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