Chloride → HCID 178457749, compound

HRID 135509Notes

Reaction equation

HRID 135509 reaction equation
[CH3:1][C:2]([CH3:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][C:11](=[O:12])[c:13]1[s:14][c:15]2[c:16]([n:17]1)[c:18]([NH:28][C:29]([c:30]1[cH:31][cH:32][c:33]([N:36]3[CH2:37][CH2:38][O:39][CH2:40][CH2:41]3)[cH:34][cH:35]1)=[O:42])[n:19][n:20]2[C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27].[CH3:46][CH2:47][OH:48].[Cl-:45].[ClH:43].[Na+:44].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[CH3:1][C:2]([CH3:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][C:11](=[O:12])[c:13]1[s:14][c:15]2[c:16]([n:17]1)[c:18]([NH:28][C:29]([c:30]1[cH:31][cH:32][c:33]([N:36]3[CH2:37][CH2:38][O:39][CH2:40][CH2:41]3)[cH:34][cH:35]1)=[O:42])[n:19][nH:20]2

Participants

7

Reactant 6

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 312751,4-DioxaneHCID 68462978tert-butyl 5-(1-methyl-1-phenylethylcarbamoyl)-3-(4-morpholin-4-ylbenzoylamino)-1H-pyrazolo[4,3-d]thiazole-1-carboxylate

Product 1

HCID 178457749HCID 178457749, compound

Sources & evidence

ORD record
ord-dea8b450391f4cf68da834130ec1ec1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…