Acetate → HCID 21108575, compound

HRID 2157906Notes

Reaction equation

HRID 2157906 reaction equation
[CH2:24]([CH2:25][CH2:26][C:27]#[CH:28])[OH:29].[CH2:49]([NH:50][CH2:51][CH3:52])[CH3:53].[CH3:54][S:55]([CH3:56])=[O:57].[Cu:68][I:69].[O-:60][C:61]([CH3:62])=[O:63].[O-:64][C:65]([CH3:66])=[O:67].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[o:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([Br:23])[cH:21][cH:22]2)[n:15][n:16]1.[OH2:58].[Pd+2:59].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[o:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:28]#[C:27][CH2:26][CH2:25][CH2:24][OH:29])[cH:21][cH:22]2)[n:15][n:16]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8021DiethylamineHCID 11776TriphenylphosphineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 793464-Pentyn-1-olHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 21108582HCID 21108582, compound

Product 1

HCID 21108575HCID 21108575, compound

Sources & evidence

ORD record
ord-71c43d2b61484ed68fedfc435a9f8616
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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