Sodium ion → 2-(4-Chloro-phenyl)-5-[3-chloro-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-6,7-dihydro-5H-thiazolo[5,4-c]pyridin-4-one

HRID 143617Notes

Reaction equation

HRID 143617 reaction equation
[CH3:17][Al:18]([CH3:19])[CH3:20].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][S:46](=[O:47])(=[O:48])[Cl:49].[Cl:1][c:2]1[cH:3][c:4]([NH2:16])[cH:5][cH:6][c:7]1[O:8][CH2:9][CH2:10][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1.[Cl:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[s:29][c:30]3[c:31]([n:32]2)[CH2:33][CH2:34][O:35][C:36]3=[O:37])[cH:26][cH:27]1.[Cl:52][CH2:53][Cl:54].[H-:51].[Na+:50].[OH2:55]>>[Cl:1][c:2]1[cH:3][c:4]([N:16]2[CH2:34][CH2:33][c:31]3[c:30]([s:29][c:28](-[c:25]4[cH:24][cH:23][c:22]([Cl:21])[cH:27][cH:26]4)[n:32]3)[C:36]2=[O:35])[cH:5][cH:6][c:7]1[O:8][CH2:9][CH2:10][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 166653HydrideHCID 16682925TrimethylaluminumHCID 196269953-Chloro-4-[2-(pyrrolidin-1-yl)ethoxy]anilineHCID 574214852-(4-Chloro-phenyl)-6,7-dihydro-pyrano[4,3-d]thiazol-4-one

Product 1

HCID 114973602-(4-Chloro-phenyl)-5-[3-chloro-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-6,7-dihydro-5H-thiazolo[5,4-c]pyridin-4-one

Sources & evidence

ORD record
ord-e6815b7eb7c64c5ab036fa76d3fbe3a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…