Hydrochloric Acid → (+/-)-[4-Chloro-2-(1,2,3,4-tetrahydro-isoquinolin-1-yl)-phenoxy]-acetic acid ethyl ester

HRID 155257Notes

Reaction equation

HRID 155257 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([c:18]2[c:19]([O:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:20][cH:21][c:22]([Cl:24])[cH:23]2)[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[CH2:16][CH2:17]1)([CH3:5])([CH3:6])[CH3:7].[Cl:32][CH2:33][Cl:34].[ClH:35].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[NH:8]1[CH:9]([c:18]2[c:19]([O:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:20][cH:21][c:22]([Cl:24])[cH:23]2)[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[CH2:16][CH2:17]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 66654193(+/-)-1-(5-chloro-2-ethoxycarbonylmethoxy-phenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Product 1

HCID 66653751(+/-)-[4-Chloro-2-(1,2,3,4-tetrahydro-isoquinolin-1-yl)-phenoxy]-acetic acid ethyl ester

Sources & evidence

ORD record
ord-3516160f56d042938add47a178b6edf8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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