Water → HCID 59264647, compound

HRID 126026Notes

Reaction equation

HRID 126026 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8](-[c:18]2[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[c:9](-[c:12]2[s:13][c:14]([Br:17])[cH:15][cH:16]2)[c:10]1[CH3:11].[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:26][C:27]([CH2:28][C:29]#[CH:30])([CH3:31])[CH3:32].[CH3:34][CH2:35][O:36][CH2:37][CH3:38].[Cu:85][I:86].[OH2:33].[Pd:44]([Cl:45])[Cl:46].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8](-[c:18]2[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[c:9](-[c:12]2[s:13][c:14]([C:29]#[C:28][C:27]([CH3:26])([CH3:31])[CH3:32])[cH:15][cH:16]2)[c:10]1[CH3:11]

Participants

9

Reactant 8

HCID 962WaterHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5187601-Pentyne, 4,4-dimethyl-HCID 24808242HCID 24808242, compound

Product 1

HCID 59264647HCID 59264647, compound

Sources & evidence

ORD record
ord-f5f0103dc9554e7e8cbbd85cdf5b6862
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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