Dichloromethane → 3-chloro-5-[(6-chloro-2-fluoro-3-{[6-(methyloxy)-1-oxo-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methyl}phenyl)oxy]benzonitrile

HRID 307935Notes

Reaction equation

HRID 307935 reaction equation
[Cl:1][c:2]1[c:3]([O:33][c:34]2[cH:35][c:36]([Cl:42])[cH:37][c:38]([C:40]#[N:41])[cH:39]2)[c:4]([F:32])[c:5]([CH2:8][N:9]2[C:10](=[O:31])[c:11]3[n:12]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[c:13]4[cH:14][cH:15][c:16]([O:22][CH3:23])[cH:17][c:18]4[c:19]3[CH2:20][CH2:21]2)[cH:6][cH:7]1.[Cl:50][CH2:51][Cl:52].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49]>>[Cl:1][c:2]1[c:3]([O:33][c:34]2[cH:35][c:36]([Cl:42])[cH:37][c:38]([C:40]#[N:41])[cH:39]2)[c:4]([F:32])[c:5]([CH2:8][N:9]2[C:10](=[O:31])[c:11]3[nH:12][c:13]4[cH:14][cH:15][c:16]([O:22][CH3:23])[cH:17][c:18]4[c:19]3[CH2:20][CH2:21]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 594515721,1-Dimethylethyl 2-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-6-(methyloxy)-1-oxo-1,2,3,4-tetrahydro-9H-beta-carboline-9-carboxylate

Product 1

HCID 594513583-chloro-5-[(6-chloro-2-fluoro-3-{[6-(methyloxy)-1-oxo-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methyl}phenyl)oxy]benzonitrile

Sources & evidence

ORD record
ord-39bc6a6bf341452b8a45347b36eae408
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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