Dichloromethane → 3-Chloro-N-(3-fluoro-phenyl)-5-[2-(pyridin-4-ylamino)-ethoxy]-N-(3-tetrazol-2-yl-propyl)-benzamide

HRID 1218787Notes

Reaction equation

HRID 1218787 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:7]([c:8]1[cH:9][cH:10][n:11][cH:12][cH:13]1)[CH2:14][CH2:15][O:16][c:17]1[cH:18][c:19]([Cl:41])[cH:20][c:21]([C:23]([N:24]([CH2:25][CH2:26][CH2:27][n:28]2[n:29][cH:30][n:31][n:32]2)[c:33]2[cH:34][c:35]([F:39])[cH:36][cH:37][cH:38]2)=[O:40])[cH:22]1)([CH3:5])([CH3:6])[CH3:42].[Cl:50][CH2:51][Cl:52].[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[NH:7]([c:8]1[cH:9][cH:10][n:11][cH:12][cH:13]1)[CH2:14][CH2:15][O:16][c:17]1[cH:18][c:19]([Cl:41])[cH:20][c:21]([C:23]([N:24]([CH2:25][CH2:26][CH2:27][n:28]2[n:29][cH:30][n:31][n:32]2)[c:33]2[cH:34][c:35]([F:39])[cH:36][cH:37][cH:38]2)=[O:40])[cH:22]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 54468377{2-[3-Chloro-5-(3-fluorophenyl-(3-tetrazol-2-yl-propyl)-carbamoyl)-phenoxy]-ethyl}-pyridin-4-yl-carbamic acid tert-butyl ester

Product 1

HCID 183491323-Chloro-N-(3-fluoro-phenyl)-5-[2-(pyridin-4-ylamino)-ethoxy]-N-(3-tetrazol-2-yl-propyl)-benzamide

Sources & evidence

ORD record
ord-9a091b6f4d19469c882ca4a18d682a9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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