Toluene → 5-(4-(5-Cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy)-2-methyl-phenyl)-thiophene-2-carboxylic acid methyl ester

HRID 310865Notes

Reaction equation

HRID 310865 reaction equation
[CH3:19][O:20][C:21](=[O:22])[c:23]1[s:24][c:25](-[c:28]2[c:29]([CH3:35])[cH:30][c:31]([OH:34])[cH:32][cH:33]2)[cH:26][cH:27]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH:1]1([c:4]2[c:5]([CH2:17][OH:18])[c:6](-[c:9]3[c:10]([Cl:16])[cH:11][cH:12][cH:13][c:14]3[Cl:15])[n:7][o:8]2)[CH2:2][CH2:3]1.[N:36]([C:37]([N:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1)=[O:44])=[N:45][C:46]([N:47]1[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1)=[O:53]>>[CH:1]1([c:4]2[c:5]([CH2:17][O:18][c:31]3[cH:30][c:29]([CH3:35])[c:28](-[c:25]4[s:24][c:23]([C:21]([O:20][CH3:19])=[O:22])[cH:27][cH:26]4)[cH:33][cH:32]3)[c:6](-[c:9]3[c:10]([Cl:16])[cH:11][cH:12][cH:13][c:14]3[Cl:15])[n:7][o:8]2)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 45790382(5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methanolHCID 574432865-(4-Hydroxy-2-methyl-phenyl)-thiophene-2-carboxylic acid methyl ester

Product 1

HCID 580883565-(4-(5-Cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy)-2-methyl-phenyl)-thiophene-2-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-2c5ad126485e4d1788d397378362f396
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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