Acetate → tert-butyl 3-[2-[3-phenylmethoxy-4-[1,1,4-trioxo-5-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-2-yl]phenyl]ethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

HRID 1135321Notes

Reaction equation

HRID 1135321 reaction equation
[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[N:37]1[CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[CH2:45][CH:46]1[CH:47]=[CH2:48].[C:56]([c:57]1[cH:58][cH:59][c:60](-[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]([PH2:68])[c:69]1[C:70]([CH3:71])([CH3:72])[CH3:73])([CH3:74])([CH3:75])[CH3:76].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([N:16]2[CH2:17][C:18](=[O:29])[N:19]([CH2:23][CH2:24][Si:25]([CH3:26])([CH3:27])[CH3:28])[S:20]2(=[O:21])=[O:22])[cH:11][cH:12][c:13]([I:15])[cH:14]1.[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:77][C:78]#[N:79].[ClH:80].[O-:82][C:83]([CH3:84])=[O:85].[O-:86][C:87]([CH3:88])=[O:89].[Pd+2:81]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([N:16]2[CH2:17][C:18](=[O:29])[N:19]([CH2:23][CH2:24][Si:25]([CH3:26])([CH3:27])[CH3:28])[S:20]2(=[O:21])=[O:22])[cH:11][cH:12][c:13]([CH:48]=[CH:47][CH:46]2[N:37]([C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][c:44]3[CH2:45]2)[cH:14]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 12190117HCID 12190117, compoundHCID 21864676Di-t-butyl-phosphinobiphenylHCID 667569375-(2-Benzyloxy-4-iodophenyl)-1,1-dioxo-2-(2-trimethylsilanylethyl)-1,2,5-thiadiazolidin-3-one

Product 1

HCID 68996829tert-butyl 3-[2-[3-phenylmethoxy-4-[1,1,4-trioxo-5-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-2-yl]phenyl]ethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Sources & evidence

ORD record
ord-cc376abe3c5547f7b5e9ba8eff02ce12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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