Acetate → ethyl 1-benzyloxymethyl-5-(3-cyclopropoxy-4-difluoromethoxyphenyl)-4-(2-fluorobenzyl)-2-formyl-1H-pyrrol-3-carboxylate
Reaction equation
[C:87]([O-:88])(=[O:89])[CH3:90].[C:92]([O-:93])(=[O:94])[CH3:95].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][n:10]1[c:11]([CH:29]=[O:30])[c:12]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[c:13]([CH2:16][c:17]2[c:18]([F:23])[cH:19][cH:20][cH:21][cH:22]2)[c:14]1[Br:15].[CH2:62]([P:63]([C:64]12[CH2:65][CH:66]3[CH2:67][CH:68]([CH2:69][CH:70]([CH2:71]3)[CH2:72]1)[CH2:73]2)[C:74]12[CH2:75][CH:76]3[CH2:77][CH:78]([CH2:79][CH:80]([CH2:81]3)[CH2:82]1)[CH2:83]2)[CH2:84][CH2:85][CH3:86].[CH3:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[CH:31]1([O:34][c:35]2[cH:36][c:37]([B:45]3[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]3)[cH:38][cH:39][c:40]2[O:41][CH:42]([F:43])[F:44])[CH2:32][CH2:33]1.[K+:59].[K+:60].[K+:61].[OH2:96].[P:54]([O-:55])([O-:56])([O-:57])=[O:58].[Pd+2:91]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][n:10]1[c:11]([CH:29]=[O:30])[c:12]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[c:13]([CH2:16][c:17]2[c:18]([F:23])[cH:19][cH:20][cH:21][cH:22]2)[c:14]1-[c:37]1[cH:36][c:35]([O:34][CH:31]2[CH2:32][CH2:33]2)[c:40]([O:41][CH:42]([F:43])[F:44])[cH:39][cH:38]1Participants
10
Reactant 9
HCID 175Acetate2×
HCID 813Potassium Cation3×
HCID 962Water
HCID 1061Phosphate
HCID 1140Toluene
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 11371790Bis(adamantan-1-yl)(butyl)phosphane
HCID 666028342-(3-Cyclopropoxy-4-difluoromethoxyphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
HCID 86627046ethyl 1-benzyloxymethyl-5-bromo-4-(2-fluorobenzyl)-2-formyl-1H-pyrrol-3-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-cd7242bf61a249b0ac8847a5fb0183eb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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