Hydrochloric Acid → 2-Amino-5-((2-benzo[1,3]dioxol-5-yl-acetylamino)methyl)-6-(4-methoxy-benzyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester

HRID 1143567Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 1143567
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([NH2:28])[s:10][c:11]2[c:16]1[CH2:15][CH:14]([CH2:17][NH2:18])[N:13]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1)[CH2:12]2.[CH3:63][N:64]([CH3:65])[CH2:66][CH2:67][CH2:68][N:69]=[C:70]=[N:71][CH2:72][CH3:73].[CH3:74][C:75]#[N:76].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[ClH:62].[O:29]1[CH2:30][O:31][c:32]2[c:33]1[cH:34][cH:35][c:36]([CH2:38][C:39](=[O:40])[OH:41])[cH:37]2.[OH2:42].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([NH2:28])[s:10][c:11]2[c:16]1[CH2:15][CH:14]([CH2:17][NH:18][C:39]([CH2:38][c:36]1[cH:35][cH:34][c:33]3[c:32]([cH:37]1)[O:31][CH2:30][O:29]3)=[O:40])[N:13]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1)[CH2:12]2

Komponenten

9

Edukt 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 76115Benzo-1,3-dioxole-5-acetic acidHCID 81531DiisopropylethylamineHCID 695855102-Amino-5-aminomethyl-6-(4-methoxy-benzyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester

Produkt 1

HCID 695859852-Amino-5-((2-benzo[1,3]dioxol-5-yl-acetylamino)methyl)-6-(4-methoxy-benzyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester

Quellen und Nachweise

ORD-Eintrag
ord-f850cf1889d34d28becd23f3e808436e
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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