1,4-Dioxane → 7-Bromo-5-methyl-1,2,3-benzothiadiazole

HRID 1115669Notes

Reaction equation

HRID 1115669 reaction equation
[Br:1][c:2]1[cH:3][c:4]([I:11])[cH:5][c:6]2[n:7][n:8][s:9][c:10]12.[CH2:92]1[O:93][CH2:94][CH2:95][O:96][CH2:97]1.[CH3:12][Zn:13][CH3:14].[cH:15]1[cH:16][cH:17][c:18]([P:19]([Pd:20]([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)([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)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[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)[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)[cH:90][cH:91]1>>[Br:1][c:2]1[cH:3][c:4]([CH3:12])[cH:5][c:6]2[n:7][n:8][s:9][c:10]12

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 667608087-Bromo-5-iodo-1,2,3-benzothiadiazoleHCID 178420554HCID 178420554, compoundHCID 178477796HCID 178477796, compound

Product 1

HCID 667608807-Bromo-5-methyl-1,2,3-benzothiadiazole

Sources & evidence

ORD record
ord-b5879dbee01e430db22ff14bac3a745a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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