Toluene → Ethyl 4-(3,4-dimethoxybenzoyl)-1H-1,2,3-triazole-5-carboxylate

HRID 312055Notes

Reaction equation

HRID 312055 reaction equation
[CH3:13][O:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[C:20]#[C:21][C:22]([O:23][CH2:24][CH3:25])=[O:26])[cH:27][cH:28][c:29]1[O:30][CH3:31].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]=[N+:9]=[N-:10])[cH:11][cH:12]1.[CH3:32][O:33][c:34]1[cH:35][c:36]([C:37](=[O:38])[c:39]2[c:40]([C:53](=[O:54])[O:55][CH2:56][CH3:57])[n:41][n:42][n:43]2[CH2:44][c:45]2[cH:46][cH:47][c:48]([O:49][CH3:50])[cH:51][cH:52]2)[cH:58][cH:59][c:60]1[O:61][CH3:62].[CH3:63][O:64][c:65]1[cH:66][c:67]([C:73]([C:74]2=[C:87]([C:88]([O:89][CH2:90][CH3:91])=[O:92])[NH:86][NH:85][N:75]2[CH2:76][c:77]2[cH:78][cH:79][c:80]([O:81][CH3:82])[cH:83][cH:84]2)=[O:93])[cH:68][cH:69][c:70]1[O:71][CH3:72].[CH3:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[CH3:32][O:33][c:34]1[cH:35][c:36]([C:37](=[O:38])[c:39]2[c:40]([C:53](=[O:54])[O:55][CH2:56][CH3:57])[n:41][n:42][nH:43]2)[cH:58][cH:59][c:60]1[O:61][CH3:62]

Participants

6

Reactant 5

HCID 1140TolueneHCID 109317671-(Azidomethyl)-4-methoxybenzeneHCID 22222587Ethyl 4-(3,4-Dimethoxyphenyl)-4-oxo-2-butynoateHCID 22222617ethyl 5-(3,4-dimethoxybenzoyl)-1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylateHCID 22222632ethyl 4-(3,4-dimethoxybenzoyl)-3-(4-methoxybenzyl)-1H-1,2,3-triazole-5-carboxylate

Product 1

HCID 178470512Ethyl 4-(3,4-dimethoxybenzoyl)-1H-1,2,3-triazole-5-carboxylate

Sources & evidence

ORD record
ord-3c9f636cdfdf43b8af3471f12dd58a95
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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