Acetic Acid → [2-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-[4-(3,3-difluoro-azetidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-methanone

HRID 2313168Notes

Reaction equation

HRID 2313168 reaction equation
[C:49]([O:50][BH-:51]([O:52][C:53](=[O:54])[CH3:55])[O:56][C:57](=[O:58])[CH3:59])(=[O:60])[CH3:61].[CH2:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH:45]([CH3:46])[CH3:47])[CH3:48].[CH3:36][C:37](=[O:38])[OH:39].[CH3:63][CH2:64][OH:65].[Cl:1][c:2]1[c:3]([O:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11](=[O:12])[N:13]2[CH2:14][CH2:15][C:16](=[O:23])[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]32)[cH:24][c:25]([Cl:28])[cH:26][cH:27]1.[ClH:29].[F:30][C:31]1([F:35])[CH2:32][NH:33][CH2:34]1.[Na+:62]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11](=[O:12])[N:13]2[CH2:14][CH2:15][CH:16]([N:33]3[CH2:32][C:31]([F:30])([F:35])[CH2:34]3)[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]32)[cH:24][c:25]([Cl:28])[cH:26][cH:27]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 81531DiisopropylethylamineHCID 2724942TriacetoxyborohydrideHCID 27582483,3-DifluoroazetidineHCID 59294467HCID 59294467, compound

Product 1

HCID 59294506[2-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-[4-(3,3-difluoro-azetidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-methanone

Sources & evidence

ORD record
ord-7392f277d25446378781f12bbeed5b62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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