Dichloromethane → 4-[2-Methylsulfanyl-6-(3-trifluoromethyl-phenyl)-pyrimidin-4-yl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

HRID 1128285Notes

Reaction equation

HRID 1128285 reaction equation
[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl:1][c:2]1[n:3][c:4]([S:18][CH3:19])[n:5][c:6](-[c:8]2[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][cH:12][cH:13]2)[cH:7]1.[Cl:41][CH2:42][Cl:43].[N:20]1([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:21][CH2:22][NH:23][CH2:24][CH2:25][CH2:26]1>>[c:2]1([N:23]2[CH2:22][CH2:21][N:20]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:26][CH2:25][CH2:24]2)[n:3][c:4]([S:18][CH3:19])[n:5][c:6](-[c:8]2[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][cH:12][cH:13]2)[cH:7]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 2756058Tert-butyl 1,4-diazepane-1-carboxylateHCID 866125004-Chloro-2-methylthio-6-(3-trifluoromethyl-phenyl)-pyrimidine

Product 1

HCID 688232604-[2-Methylsulfanyl-6-(3-trifluoromethyl-phenyl)-pyrimidin-4-yl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-9966ebbf34594b15b5a8a961c9f0ea76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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