Sodium ion → 1-[2-[[2-[[2-(1H-indazol-4-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoyl]oxyethyl 2,2-dimethylpropanoate

HRID 113824

Reaktionsgleichung

Reaktionsgleichung von HRID 113824
[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:36][CH:37]([CH3:38])[O:39][C:40]([C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45].[I-:54].[Na+:53].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[nH:1]1[n:2][cH:3][c:4]2[c:5]([CH2:10][C:11](=[O:12])[NH:13][c:14]3[s:15][c:16]([C:20](=[O:21])[NH:22][CH:23]([C:24](=[O:25])[OH:26])[CH2:27][NH:28][C:29](=[O:30])[c:31]4[s:32][cH:33][cH:34][cH:35]4)[c:17]([CH3:19])[n:18]3)[cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[n:2][cH:3][c:4]2[c:5]([CH2:10][C:11](=[O:12])[NH:13][c:14]3[s:15][c:16]([C:20](=[O:21])[NH:22][CH:23]([C:24]([O:25][CH:37]([CH3:38])[O:39][C:40]([C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])=[O:26])[CH2:27][NH:28][C:29](=[O:30])[c:31]4[s:32][cH:33][cH:34][cH:35]4)[c:17]([CH3:19])[n:18]3)[cH:6][cH:7][cH:8][c:9]12

Komponenten

7

Edukt 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 8471TriethylamineHCID 30165Iodide IonHCID 30161741-Chloroethyl pivalateHCID 756023362-[[2-[[2-(1H-indazol-4-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid

Produkt 1

HCID 726819141-[2-[[2-[[2-(1H-indazol-4-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoyl]oxyethyl 2,2-dimethylpropanoate

Quellen und Nachweise

ORD-Eintrag
ord-c9be27a761a448759c69bc523f9155d9
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Verknüpfte Notizen

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