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

HRID 178190Notes

Reaction equation

HRID 178190 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].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:26][c:27]1[cH:28][cH:29][c:30](-[c:33]2[cH:34][c:35]3[c:36]([s:42]2)[C:37](=[O:41])[O:38][CH2:39][CH2:40]3)[cH:31][cH:32]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:37]([c:36]3[c:35]([CH2:40][CH2:39][OH:38])[cH:34][c:33](-[c:30]4[cH:29][cH:28][c:27]([Cl:26])[cH:32][cH:31]4)[s:42]3)=[O:41])[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 689489532-(4-Chloro-phenyl)-4,5-dihydro-thieno[2,3-c]pyran-7-one

Product 1

HCID 689523253-(4-{[5-(4-Chloro-phenyl)-3-(2-hydroxy-ethyl)-thiophene-2-carbonyl]-amino}-2-methoxy-phenoxy)-azetidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-6eea20999a5e4b289ac6ada517b9b70a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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