Bromide ion → Ethyl 6-[2-[2-(2,2-dimethylpropoxy)-3-methoxyphenyl]ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylate

HRID 289928Notes

Reaction equation

HRID 289928 reaction equation
[Br-:43].[CH2:44]([CH3:45])[O:46][C:47](=[O:48])[c:49]1[c:50]([CH2:57][P+:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[n:51][c:52]2[s:53][cH:54][cH:55][n:56]12.[CH3:27][C:28]([CH2:29][O:30][c:31]1[c:32]([CH:33]=[O:34])[cH:35][cH:36][cH:37][c:38]1[O:39][CH3:40])([CH3:41])[CH3:42].[CH3:79][S:80]([CH3:81])=[O:82].[CH:1]1([CH2:2][O:3][c:4]2[c:5]([O:6][CH3:7])[cH:8][cH:9][cH:10][c:11]2[CH:12]=[CH:13][c:14]2[n:15][c:16]3[n:17]([c:18]2[C:19]([OH:20])=[O:21])[cH:22][cH:23][s:24]3)[CH2:25][CH2:26]1.[H-:77].[Na+:78]>>[CH3:27][C:28]([CH2:29][O:30][c:31]1[c:32]([CH:33]=[CH:57][c:50]2[c:49]([C:47]([O:46][CH2:44][CH3:45])=[O:48])[n:56]3[c:52]([n:51]2)[s:53][cH:54][cH:55]3)[cH:35][cH:36][cH:37][c:38]1[O:39][CH3:40])([CH3:41])[CH3:42]

Participants

8

Reactant 7

HCID 259Bromide ionHCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 166653HydrideHCID 684059436-[2-[2-(Cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylic acidHCID 866360773-Methoxy-2-neopentyloxybenzaldehydeHCID 86642528(5-Ethoxycarbonylimidazo[2,1-b][1,3]thiazol-6-yl)methyl-triphenylphosphanium

Product 1

HCID 67549225Ethyl 6-[2-[2-(2,2-dimethylpropoxy)-3-methoxyphenyl]ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylate

Sources & evidence

ORD record
ord-c0c462d3a00a46bda1adbdc2740fd4e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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