1,2-Dichloroethane → tert-butyl N-[1-(2,5-difluorophenyl)-4-(2-ethylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-oxobutan-2-yl]carbamate

HRID 1536684Notes

Reaction equation

HRID 1536684 reaction equation
[CH2:2]([CH3:3])[S:4][c:5]1[n:6][cH:7][c:8]2[c:9]([n:10]1)[CH2:11][NH:12][CH2:13][CH2:14]2.[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:15][C:16]([CH3:17])([O:18][C:19](=[O:20])[NH:21][CH:22]([CH2:23][C:24](=[O:25])[OH:26])[CH2:27][c:28]1[c:29]([F:35])[cH:30][cH:31][c:32]([F:34])[cH:33]1)[CH3:36].[CH:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH2:56][CH3:57])([CH3:58])[CH3:59].[Cl:60][CH2:61][Cl:62].[ClH:1].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[CH2:2]([CH3:3])[S:4][c:5]1[n:6][cH:7][c:8]2[c:9]([n:10]1)[CH2:11][N:12]([C:24]([CH2:23][CH:22]([NH:21][C:19]([O:18][C:16]([CH3:15])([CH3:17])[CH3:36])=[O:20])[CH2:27][c:28]1[c:29]([F:35])[cH:30][cH:31][c:32]([F:34])[cH:33]1)=[O:25])[CH2:13][CH2:14]2

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 184565132-(Ethylthio)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidineHCID 219112013-tert-Butoxycarbonylamino-4-(2,5-difluoro-phenyl)-butyric acid

Product 1

HCID 18456527tert-butyl N-[1-(2,5-difluorophenyl)-4-(2-ethylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-oxobutan-2-yl]carbamate

Sources & evidence

ORD record
ord-7e2ffa3f1f164ebb8ae61c25f04a1362
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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