Water → HCID 57910812, compound

HRID 1546582Notes

Reaction equation

HRID 1546582 reaction equation
[CH3:30][C:31]#[N:32].[Cu:111][I:112].[I:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH:9]([CH3:10])[CH3:11])([CH3:12])[c:13]2[n:14][cH:15][c:16]([O:19][CH2:20][c:21]3[n:22][cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18]2)[cH:6][cH:7]1.[K:27][C:28]#[N:29].[OH2:33].[Pd:34].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[c:2]1([C:28]#[N:29])[cH:3][cH:4][c:5]([C:8]([CH:9]([CH3:10])[CH3:11])([CH3:12])[c:13]2[n:14][cH:15][c:16]([O:19][CH2:20][c:21]3[n:22][cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6342AcetonitrileHCID 11776Triphenylphosphine4×HCID 23938PalladiumHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 57910762HCID 57910762, compoundHCID 178511842HCID 178511842, compound

Product 1

HCID 57910812HCID 57910812, compound

Sources & evidence

ORD record
ord-e478d9b66e244b46b35ae7396a1d706b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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