Acetate → (Z)-tert-butyl 3-(2-(1,3-dioxolan-2-yl)ethyl)-6-(8-(3-((2-(trimethylsilyl)ethoxy)methyl)benzo[d]thiazol-2(3H)-ylidenecarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinate
Reaction equation
[Br-:74].[Br:1][c:2]1[c:3]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[n:4][c:5]([N:8]2[CH2:9][c:10]3[c:11]([C:18]([N:19]=[c:20]4[s:21][c:22]5[c:23]([n:24]4[CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[cH:33][cH:34][cH:35][cH:36]5)=[O:37])[cH:12][cH:13][cH:14][c:15]3[CH2:16][CH2:17]2)[cH:6][cH:7]1.[C:88]([O-:89])(=[O:90])[CH3:91].[C:93]([O-:94])(=[O:95])[CH3:96].[CH2:83]1[O:84][CH2:85][CH2:86][CH2:87]1.[CH:45]1([P:46]([CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2-[c:59]2[c:60]([O:61][CH3:62])[cH:63][cH:64][cH:65][c:66]2[O:67][CH3:68])[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]1.[O:75]1[CH:76]([CH2:80][CH2:81][Zn+:82])[O:77][CH2:78][CH2:79]1.[Pd+2:92]>>[c:2]1([CH2:81][CH2:80][CH:76]2[O:75][CH2:79][CH2:78][O:77]2)[c:3]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[n:4][c:5]([N:8]2[CH2:9][c:10]3[c:11]([C:18]([N:19]=[c:20]4[s:21][c:22]5[c:23]([n:24]4[CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[cH:33][cH:34][cH:35][cH:36]5)=[O:37])[cH:12][cH:13][cH:14][c:15]3[CH2:16][CH2:17]2)[cH:6][cH:7]1Participants
8
Reactant 7
HCID 175Acetate2×
HCID 259Bromide ion
HCID 8028Tetrahydrofuran
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
HCID 59447500(Z)-tert-butyl 3-bromo-6-(8-(3-((2-(trimethylsilyl)ethoxy)methyl)benzo[d]thiazol-2(3H)-ylidenecarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinate
HCID 178528071HCID 178528071, compoundProduct 1
Sources & evidence
- ORD record
- ord-2023e07ba744462f81a064648ae01376
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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