Water → HCID 67247538, compound

HRID 288784Notes

Reaction equation

HRID 288784 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:21]3[c:22]([F:27])[n:23][cH:24][cH:25][cH:26]3)[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH2:20])[O:18][CH2:19]1.[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1.[CH3:123][CH2:124][O:125][C:126]([CH3:127])=[O:128].[CH3:38][C:39]([C:40]#[CH:41])([CH3:42])[CH3:43].[Cu:121][I:122].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:129].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[c:2]1([C:41]#[C:40][C:39]([CH3:38])([CH3:42])[CH3:43])[cH:3][c:4]2[c:5]([n:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:21]3[c:22]([F:27])[n:23][cH:24][cH:25][cH:26]3)[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH2:20])[O:18][CH2:19]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 135123,3-Dimethyl-1-butyneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 67239953HCID 67239953, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 67247538HCID 67247538, compound

Sources & evidence

ORD record
ord-fe63eb81a3584263bb10ab31d48eaaf7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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