Ammonium → 4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [3-(6-{3-amino-4-[(2-hydroxy-ethyl)-methyl-carbamoyl]-phenylamino}-4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl)-2-methyl-phenyl]-amide

HRID 687127

Reaktionsgleichung

Reaktionsgleichung von HRID 687127
[CH3:47][CH2:48][OH:49].[Cl-:45].[Fe:51].[NH4+:46].[OH2:50].[OH:1][CH2:2][CH2:3][N:4]([C:5](=[O:6])[c:7]1[c:8]([N+:41]([O-:42])=[O:43])[cH:9][c:10]([NH:13][c:14]2[c:15](=[O:40])[n:16]([CH3:39])[cH:17][c:18](-[c:20]3[c:21]([CH3:38])[c:22]([NH:26][C:27](=[O:28])[c:29]4[cH:30][c:31]5[c:32]([s:33]4)[CH2:34][CH2:35][CH2:36][CH2:37]5)[cH:23][cH:24][cH:25]3)[n:19]2)[cH:11][cH:12]1)[CH3:44]>>[OH:1][CH2:2][CH2:3][N:4]([C:5](=[O:6])[c:7]1[c:8]([NH2:41])[cH:9][c:10]([NH:13][c:14]2[c:15](=[O:40])[n:16]([CH3:39])[cH:17][c:18](-[c:20]3[c:21]([CH3:38])[c:22]([NH:26][C:27](=[O:28])[c:29]4[cH:30][c:31]5[c:32]([s:33]4)[CH2:34][CH2:35][CH2:36][CH2:37]5)[cH:23][cH:24][cH:25]3)[n:19]2)[cH:11][cH:12]1)[CH3:44]

Komponenten

7

Edukt 6

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 23925IronHCID 587289644,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [3-(6-{4-[(2-hydroxy-ethyl)-methyl-carbamoyl]-3-nitro-phenylamino}-4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl)-2-methyl-phenyl]-amide

Produkt 1

HCID 587291034,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [3-(6-{3-amino-4-[(2-hydroxy-ethyl)-methyl-carbamoyl]-phenylamino}-4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl)-2-methyl-phenyl]-amide

Quellen und Nachweise

ORD-Eintrag
ord-71ba9650047f45248ea0a1d443bc185e
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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