Methanol → 4-[(2-cyclopentyl-4,4-diethyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-N-(2,2-dimethyl-3-pyrrolidin-1-yl-propyl)-3-methoxy-benzamide

HRID 135404

Reaktionsgleichung

Reaktionsgleichung von HRID 135404
[CH3:58][CH:59]([CH3:60])[CH2:61][CH:62]([OH:63])[CH3:64].[CH3:65][OH:66].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[CH2:9][C:8]([CH2:18][CH3:19])([CH2:20][CH3:21])[C:7](=[O:22])[N:6]2[CH3:23].[NH2:36][c:37]1[c:38]([O:56][CH3:57])[cH:39][c:40]([C:41](=[O:42])[NH:43][CH2:44][C:45]([CH2:46][N:47]2[CH2:48][CH2:49][CH2:50][CH2:51]2)([CH3:52])[CH3:53])[cH:54][cH:55]1.[OH2:24].[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1>>[c:2]1([NH:36][c:37]2[c:38]([O:56][CH3:57])[cH:39][c:40]([C:41](=[O:42])[NH:43][CH2:44][C:45]([CH2:46][N:47]3[CH2:48][CH2:49][CH2:50][CH2:51]3)([CH3:52])[CH3:53])[cH:54][cH:55]2)[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[CH2:9][C:8]([CH2:18][CH3:19])([CH2:20][CH3:21])[C:7](=[O:22])[N:6]2[CH3:23]

Komponenten

7

Edukt 6

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 79104-Methyl-2-PentanolHCID 686858814-amino-N-(2,2-dimethyl-3-pyrrolidin-1-yl-propyl)-3-methoxy-benzamideHCID 8661756310-Chloro-2-cyclopentyl-4,4-diethyl-6-methyl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one

Produkt 1

HCID 686849234-[(2-cyclopentyl-4,4-diethyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-N-(2,2-dimethyl-3-pyrrolidin-1-yl-propyl)-3-methoxy-benzamide

Quellen und Nachweise

ORD-Eintrag
ord-4cd45219cd4344e1b8fcb5275f760f74
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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