Hydrochloric Acid → Ethyl 1-({4-[3-(4-isobutylphenyl)isoxazol-5-yl]-2-thienyl}methyl)azetidine-3-carboxylate

HRID 181808Notes

Reaction equation

HRID 181808 reaction equation
[C:23]([Br:24])([Br:25])([Br:26])[Br:27].[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][o:13][c:14](-[c:16]3[cH:17][c:18]([CH2:21][OH:22])[s:19][cH:20]3)[cH:15]2)[cH:9][cH:10]1.[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:71][CH2:72][Cl:73].[ClH:47].[NH:48]1[CH2:49][CH:50]([C:52](=[O:53])[O:54][CH2:55][CH3:56])[CH2:51]1.[Na+:66].[OH2:74].[OH:67][C:68](=[O:69])[O-:70].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][o:13][c:14](-[c:16]3[cH:17][c:18]([CH2:21][N:48]4[CH2:49][CH:50]([C:52](=[O:53])[O:54][CH2:55][CH3:56])[CH2:51]4)[s:19][cH:20]3)[cH:15]2)[cH:9][cH:10]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 11205Carbon tetrabromideHCID 11776TriphenylphosphineHCID 81531DiisopropylethylamineHCID 21717027Ethyl azetidine-3-carboxylateHCID 68521914{4-[3-(4-Isobutylphenyl)isoxazol-5-yl]-2-thienyl}methanol

Product 1

HCID 68525245Ethyl 1-({4-[3-(4-isobutylphenyl)isoxazol-5-yl]-2-thienyl}methyl)azetidine-3-carboxylate

Sources & evidence

ORD record
ord-7a518d3a7a5d41868a9d5014caac1913
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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