Hydrochloric Acid → 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-hydroxy-6-(7-hydroxy-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)thieno[3,2-b]pyridin-5(4H)-one

HRID 690686Notes

Reaction equation

HRID 690686 reaction equation
[Cl:1][c:2]1[s:3][c:4]([CH2:7][n:8]2[c:9]3[c:10]([c:11]([OH:38])[c:12]([C:15]4=[N:16][S:17](=[O:36])(=[O:37])[c:18]5[c:19]([cH:21][cH:22][c:23]([O:25][Si:26]([CH:27]([CH3:28])[CH3:29])([CH:30]([CH3:31])[CH3:32])[CH:33]([CH3:34])[CH3:35])[cH:24]5)[NH:20]4)[c:13]2=[O:14])[s:39][cH:40][cH:41]3)[cH:5][n:6]1.[ClH:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:48]>>[Cl:1][c:2]1[s:3][c:4]([CH2:7][n:8]2[c:9]3[c:10]([c:11]([OH:38])[c:12]([C:15]4=[N:16][S:17](=[O:36])(=[O:37])[c:18]5[c:19]([cH:21][cH:22][c:23]([OH:25])[cH:24]5)[NH:20]4)[c:13]2=[O:14])[s:39][cH:40][cH:41]3)[cH:5][n:6]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 136373991HCID 136373991, compound

Product 1

HCID 1363742394-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-hydroxy-6-(7-hydroxy-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)thieno[3,2-b]pyridin-5(4H)-one

Sources & evidence

ORD record
ord-e3aba77d5ecc44de8b10a13d0ccdc003
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…