Benzoic Acid → HCID 22568788, compound

HRID 304063Notes

Reaction equation

HRID 304063 reaction equation
[C:12]([OH:13])(=[O:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[C:1](#[CH:2])[c:3]1[cH:4][c:5]([CH3:11])[c:6]([CH2:9][OH:10])[cH:7][cH:8]1.[CH2:21]([CH3:22])[O:23][C:24]([c:25]1[cH:26][cH:27][c:28]([I:31])[cH:29][cH:30]1)=[O:32].[CH2:33]([N:34]([CH2:35][CH3:36])[CH2:37][CH3:38])[CH3:39].[Cu:40][I:41].[Pd:42]([Cl:43])[Cl:44].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[C:1](#[C:2][c:28]1[cH:27][cH:26][c:25]([C:24]([O:23][CH2:21][CH3:22])=[O:32])[cH:30][cH:29]1)[c:3]1[cH:4][c:5]([CH3:11])[c:6]([CH2:9][OH:10])[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 243Benzoic AcidHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 142891Ethyl 4-iodobenzoateHCID 22568989(4-Ethynyl-2-methyl-phenyl)-methanol

Product 1

HCID 22568788HCID 22568788, compound

Sources & evidence

ORD record
ord-b528b41ba121416d92479355c047ca5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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