Hydrochloric Acid → 1-{[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-cyclopentanecarboxylic acid methyl ester

HRID 163308

Reaction equation

HRID 163308 reaction equation
[CH2:37]([N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46])[CH3:47].[CH3:58][O:59][C:60](=[O:61])[C:62]1([NH2:67])[CH2:63][CH2:64][CH2:65][CH2:66]1.[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[ClH:36].[ClH:57].[O:1]1[CH:2]([CH2:11][O:12][c:13]2[c:14]([C:23](=[O:24])[OH:25])[cH:15][cH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]23)[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[O:1]1[CH:2]([CH2:11][O:12][c:13]2[c:14]([C:23](=[O:24])[NH:67][C:62]3([C:60]([O:59][CH3:58])=[O:61])[CH2:63][CH2:64][CH2:65][CH2:66]3)[cH:15][cH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]23)[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 231225Methyl 1-amino-1-cyclopentanecarboxylate (H-Ac5c-OMe)HCID 231327931-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethoxy)-naphthalene-2-carboxylic acid

Product 1

HCID 667010541-{[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-cyclopentanecarboxylic acid methyl ester

Sources & evidence

ORD record
ord-a11006a095db434f914e24d8b3d8d146
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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