Toluene → 3-(4-{[5-(4-Chloro-phenyl)-3-trimethylsilanylethynyl-thiophene-2-carbonyl]-amino}-2-methoxy-phenoxy)-azetidine-1-carboxylic acid tert-butyl ester

HRID 147536Notes

Reaction equation

HRID 147536 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:12][c:13]2[c:14]([O:20][CH3:21])[cH:15][c:16]([NH2:19])[cH:17][cH:18]2)[CH2:11]1.[CH3:22][Al:23]([CH3:24])[CH3:25].[CH3:26][O:27][C:28](=[O:29])[c:30]1[s:31][c:32](-[c:41]2[cH:42][cH:43][c:44]([Cl:47])[cH:45][cH:46]2)[cH:33][c:34]1[C:35]#[C:36][Si:37]([CH3:38])([CH3:39])[CH3:40].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:12][c:13]2[c:14]([O:20][CH3:21])[cH:15][c:16]([NH:19][C:28](=[O:27])[c:30]3[s:31][c:32](-[c:41]4[cH:42][cH:43][c:44]([Cl:47])[cH:45][cH:46]4)[cH:33][c:34]3[C:35]#[C:36][Si:37]([CH3:38])([CH3:39])[CH3:40])[cH:17][cH:18]2)[CH2:11]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 16682925TrimethylaluminumHCID 46835556Tert-butyl 3-(4-amino-2-methoxyphenoxy)azetidine-1-carboxylateHCID 68953726HCID 68953726, compound

Product 1

HCID 689513263-(4-{[5-(4-Chloro-phenyl)-3-trimethylsilanylethynyl-thiophene-2-carbonyl]-amino}-2-methoxy-phenoxy)-azetidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-acec052df0054356a424ea0b0c601448
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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