Acetic Acid → Ethyl 6-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylate

HRID 213116Notes

Reaction equation

HRID 213116 reaction equation
[BrH:70].[CH3:61][C:62](=[O:63])[OH:64].[CH:1]1([O:6][c:7]2[c:8]([CH:17]=[CH:18][c:19]3[n:20][c:21]4[s:22][cH:23][cH:24][n:25]4[c:26]3[C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:9][cH:10][cH:11][c:12]2[O:13][CH:14]([F:15])[F:16])[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:32]1([O:33][c:34]2[c:35]([O:36][CH:37]([F:38])[F:39])[cH:40][cH:41][cH:42][c:43]2[CH:44]=[CH:45][c:46]2[n:47][c:48]3[n:49]([c:50]2[C:51]([OH:52])=[O:53])[cH:54][cH:55][s:56]3)[CH2:57][CH2:58][CH2:59][CH2:60]1.[Na+:69].[O-:65][C:66]([OH:67])=[O:68]>>[OH:6][c:7]1[c:8]([CH:17]=[CH:18][c:19]2[n:20][c:21]3[s:22][cH:23][cH:24][n:25]3[c:26]2[C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:9][cH:10][cH:11][c:12]1[O:13][CH:14]([F:15])[F:16]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 67549215Ethyl 6-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylateHCID 684066456-[2-[2-Cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

Product 1

HCID 67549495Ethyl 6-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylate

Sources & evidence

ORD record
ord-2a605ae2178a410d9bba911116620193
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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