Acetic Acid → 2-(4-Chloro-phenyl)-5-[3-methoxy-4-(1-methyl-azetidin-3-yloxy)-phenyl]-5H-thiazolo[5,4-c]pyridin-4-one

HRID 1569279Notes

Reaction equation

HRID 1569279 reaction equation
[C:36]([BH3-:37])#[N:38].[CH2:40]=[O:41].[CH3:32][C:33](=[O:34])[OH:35].[CH3:47][OH:48].[ClH:31].[NH:1]1[CH2:2][CH:3]([O:5][c:6]2[c:7]([O:29][CH3:30])[cH:8][c:9](-[n:12]3[c:13](=[O:28])[c:14]4[c:15]([cH:16][cH:17]3)[n:18][c:19](-[c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[s:20]4)[cH:10][cH:11]2)[CH2:4]1.[Na+:39].[Na+:46].[O-:42][C:43]([OH:44])=[O:45].[OH2:49]>>[N:1]1([CH3:32])[CH2:2][CH:3]([O:5][c:6]2[c:7]([O:29][CH3:30])[cH:8][c:9](-[n:12]3[c:13](=[O:28])[c:14]4[c:15]([cH:16][cH:17]3)[n:18][c:19](-[c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[s:20]4)[cH:10][cH:11]2)[CH2:4]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 712FormaldehydeHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 498716Cyano-borohydrideHCID 249907925-(4-(azetidin-3-yloxy)-3-methoxyphenyl)-2-(4-chlorophenyl)thiazolo[5,4-c]pyridin-4(5H)-one

Product 1

HCID 249907962-(4-Chloro-phenyl)-5-[3-methoxy-4-(1-methyl-azetidin-3-yloxy)-phenyl]-5H-thiazolo[5,4-c]pyridin-4-one

Sources & evidence

ORD record
ord-cffaae5d6b2f4c0cb280e2b66a59a896
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…