Chloroform → 2-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid [5-(2-hydroxy-1,1-dimethyl-ethyl)-[1,3,4]thiadiazol-2-yl]-amide

HRID 95646Notes

Reaction equation

HRID 95646 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][C:10]([CH3:11])([CH3:12])[c:13]1[n:14][n:15][c:16]([NH:18][C:19]([CH:20]([CH2:21][CH2:22][CH3:23])[NH:24][CH:25]2[CH2:26][c:27]3[c:28]([F:36])[cH:29][c:30]([F:35])[cH:31][c:32]3[CH2:33][CH2:34]2)=[O:37])[s:17]1.[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:44]([Cl:45])([Cl:46])[Cl:47]>>[OH:8][CH2:9][C:10]([CH3:11])([CH3:12])[c:13]1[n:14][n:15][c:16]([NH:18][C:19]([CH:20]([CH2:21][CH2:22][CH3:23])[NH:24][CH:25]2[CH2:26][c:27]3[c:28]([F:36])[cH:29][c:30]([F:35])[cH:31][c:32]3[CH2:33][CH2:34]2)=[O:37])[s:17]1

Participants

5

Reactant 4

HCID 6212ChloroformHCID 8058HexaneHCID 8857Ethyl AcetateHCID 73063680HCID 73063680, compound

Product 1

HCID 729839612-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid [5-(2-hydroxy-1,1-dimethyl-ethyl)-[1,3,4]thiadiazol-2-yl]-amide

Sources & evidence

ORD record
ord-bc17a52e74c543a3babda5248a01c6ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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