Ethylene Glycol → 4-[4-cyclopropylaminomethyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-2-methoxy-phenyl-4H-[1,2,4]oxadiazol-5-one

HRID 164814Notes

Reaction equation

HRID 164814 reaction equation
[K+:47].[OH-:46].[OH2:52].[OH:48][CH2:49][CH2:50][OH:51].[c:1]1([O:2][C:3](=[O:4])[N:9]([CH2:10][c:11]2[n:12][c:13](-[c:32]3[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]3)[s:14][c:15]2[CH2:16][O:17][c:18]2[cH:19][c:20]([O:30][CH3:31])[c:21](-[c:24]3[n:25][o:26][c:27](=[O:29])[nH:28]3)[cH:22][cH:23]2)[CH:42]2[CH2:43][CH2:44]2)[cH:5][cH:6][cH:7][cH:8][cH:45]1>>[NH:9]([CH2:10][c:11]1[n:12][c:13](-[c:32]2[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]2)[s:14][c:15]1[CH2:16][O:17][c:18]1[cH:19][c:20]([O:30][CH3:31])[c:21](-[c:24]2[n:25][o:26][c:27](=[O:29])[nH:28]2)[cH:22][cH:23]1)[CH:42]1[CH2:43][CH2:44]1

Participants

6

Reactant 5

HCID 174Ethylene GlycolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 136149959HCID 136149959, compound

Product 1

HCID 1354463954-[4-cyclopropylaminomethyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-2-methoxy-phenyl-4H-[1,2,4]oxadiazol-5-one

Sources & evidence

ORD record
ord-27836dff982f41ba8ff3f49e4ea1d820
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…