Ammonium → 4-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)but-3-yn-1-ol

HRID 1227786Notes

Reaction equation

HRID 1227786 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([NH2:11])[n:7][cH:8][n:9][n:10]12.[CH2:12]([CH2:13][C:14]#[CH:15])[OH:16].[CH2:19]1[CH2:20][NH:21][CH2:22][CH2:23]1.[Cl-:17].[Cu:101][I:102].[NH4+:18].[cH:24]1[cH:25][cH:26][c:27]([P:28]([Pd:29]([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)([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)([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([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)[P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([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)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100]1>>[c:2]1([C:15]#[C:14][CH2:13][CH2:12][OH:16])[cH:3][cH:4][c:5]2[c:6]([NH2:11])[n:7][cH:8][n:9][n:10]12

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 135663-Butyn-1-OLHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 31268PyrrolidineHCID 422813837-Bromopyrrolo[2,1-f][1,2,4]triazin-4-amineHCID 178420554HCID 178420554, compound

Product 1

HCID 585295674-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)but-3-yn-1-ol

Sources & evidence

ORD record
ord-fd3e02f12fdd4e0e862cb37ba88c21df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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