Acetate → 3-{2-[3-Benzyloxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-phenyl]-vinyl}-benzamide

HRID 1213531Notes

Reaction equation

HRID 1213531 reaction equation
[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][c:20]1[c:21]([N:27]2[CH2:28][C:29](=[O:34])[NH:30][S:31]2(=[O:32])=[O:33])[cH:22][cH:23][c:24]([I:26])[cH:25]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][C:43]#[N:44].[CH:1](=[CH2:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10][cH:11]1.[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[Pd+2:45]>>[CH:1](=[CH:2][c:24]1[cH:23][cH:22][c:21]([N:27]2[CH2:28][C:29](=[O:34])[NH:30][S:31]2(=[O:32])=[O:33])[c:20]([O:19][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:25]1)[c:3]1[cH:4][c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10][cH:11]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 125414983-EthenylbenzamideHCID 688386435-(2-Benzyloxy-4-iodophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

Product 1

HCID 688385893-{2-[3-Benzyloxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-phenyl]-vinyl}-benzamide

Sources & evidence

ORD record
ord-3eff62bf67584e14854b0598798c2e10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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