Water → 4-(5-Chloro-3-nitro-pyridin-2-yl)-2-methyl-but-3-yn-2-ol

HRID 692385Notes

Reaction equation

HRID 692385 reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([Cl:11])[cH:6][c:7]1[N+:8](=[O:9])[O-:10].[CH3:12][C:13]([CH3:14])([C:15]#[CH:16])[OH:17].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[Cu:25][I:26].[OH2:104].[cH:27]1[cH:28][cH:29][c:30]([P:31]([Pd:32]([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103]1>>[c:2]1([C:16]#[C:15][C:13]([CH3:12])([CH3:14])[OH:17])[n:3][cH:4][c:5]([Cl:11])[cH:6][c:7]1[N+:8](=[O:9])[O-:10]

Participants

7

Reactant 6

HCID 962WaterHCID 82582-Methyl-3-butyn-2-olHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 2806812-Bromo-5-chloro-3-nitropyridineHCID 178420554HCID 178420554, compound

Product 1

HCID 579425324-(5-Chloro-3-nitro-pyridin-2-yl)-2-methyl-but-3-yn-2-ol

Sources & evidence

ORD record
ord-a7ece31951294e068a4f228abeb7f28a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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