Nitrogen → HCID 59129150, compound

HRID 160760Notes

Reaction equation

HRID 160760 reaction equation
[Br:1][c:2]1[c:3]([NH:11][CH3:12])[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:20][C:21]([C:22]#[CH:23])([CH3:24])[CH3:25].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cu:77][I:78].[N:26]#[N:27].[OH2:35].[Pd:36]([Cl:37])[Cl:38].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[c:2]1([C:23]#[C:22][C:21]([CH3:20])([CH3:24])[CH3:25])[c:3]([NH:11][CH3:12])[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1

Participants

10

Reactant 9

HCID 947NitrogenHCID 962WaterHCID 1140TolueneHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 135123,3-Dimethyl-1-butyneHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 203088462-Bromo-N-methyl-4-nitroaniline

Product 1

HCID 59129150HCID 59129150, compound

Sources & evidence

ORD record
ord-df4a6bbe649240f38f9d1c236c6ce193
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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