Toluene → HCID 57934031, compound

HRID 2338327Notes

Reaction equation

HRID 2338327 reaction equation
[Br:34][c:35]1[c:36]([N+:43](=[O:44])[O-:45])[cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]1.[CH3:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[Cu:123][I:124].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([Sn:21]([CH2:22][CH2:23][CH2:24][CH3:25])([CH2:26][CH2:27][CH2:28][CH3:29])[CH2:30][CH2:31][CH2:32][CH3:33])[cH:12][c:13]3[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][c:18]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([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)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11](-[c:35]3[c:36]([N+:43](=[O:44])[O-:45])[cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]3)[cH:12][c:13]3[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][c:18]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 792884-Bromo-3-nitroanisoleHCID 56931705HCID 56931705, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 57934031HCID 57934031, compound

Sources & evidence

ORD record
ord-56cbba2afa9a47f1b94321a3ba1a155f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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