Hydrochloric Acid → 4-(8-[1,4]Diazepan-1-yl-6-methyl-quinolin-7-yloxy)-butyric acid methyl ester

HRID 689688Notes

Reaction equation

HRID 689688 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[c:16]([O:26][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O:32][CH3:33])[c:17]([CH3:25])[cH:18][c:19]3[cH:20][cH:21][cH:22][n:23][c:24]23)[CH2:12][CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[CH3:35][OH:36].[ClH:34].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1>>[NH:8]1[CH2:9][CH2:10][N:11]([c:15]2[c:16]([O:26][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O:32][CH3:33])[c:17]([CH3:25])[cH:18][c:19]3[cH:20][cH:21][cH:22][n:23][c:24]23)[CH2:12][CH2:13][CH2:14]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 312751,4-DioxaneHCID 593661754-[7-(3-Methoxycarbonyl-propoxy)-6-methyl-quinolin-8-yl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Product 1

HCID 593662074-(8-[1,4]Diazepan-1-yl-6-methyl-quinolin-7-yloxy)-butyric acid methyl ester

Sources & evidence

ORD record
ord-5d21b972ab474bd8ad6d0b27cac18679
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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