1,2-Dichloroethane → [4-(4-Benzyloxycarbonylaminobutyl)phenoxy]acetic acid 2-tert-butoxycarbonylamino-ethyl ester

HRID 1129762Notes

Reaction equation

HRID 1129762 reaction equation
[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37]([NH:38][CH2:39][CH2:40][OH:41])=[O:42].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([O:20][CH2:21][C:22](=[O:23])[OH:24])[cH:25][cH:26]1.[CH2:27]([Cl:28])[CH2:29][Cl:30].[CH3:46][N:47]([c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1)[CH3:54].[Cl:43][CH2:44][Cl:45].[ClH:31]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([O:20][CH2:21][C:22]([O:23][CH2:40][CH2:39][NH:38][C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:42])=[O:24])[cH:25][cH:26]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 2733206tert-butyl N-(2-hydroxyethyl)carbamateHCID 22054455[4-(4-{[(Benzyloxy)carbonyl]amino}butyl)phenoxy]acetic acid

Product 1

HCID 67350250[4-(4-Benzyloxycarbonylaminobutyl)phenoxy]acetic acid 2-tert-butoxycarbonylamino-ethyl ester

Sources & evidence

ORD record
ord-5956938f69e74f32be69dfcf7ab6a208
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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