Dichloromethane → Tert-butyl 2,2,4-trimethyl-4-[[2-oxo-2-[4-(6-phenylhexoxy)-3-(trifluoromethyl)phenyl]ethyl]carbamoyl]-1,3-oxazolidine-3-carboxylate

HRID 204737

反応式

HRID 204737 の反応式
[Cl:79][CH2:80][Cl:81].[O:65]=[C:66]([O:67][CH:68]([CH3:69])[CH3:70])[N:71]=[N:72][C:73]([O:74][CH:75]([CH3:76])[CH3:77])=[O:78].[OH:1][c:2]1[c:3]([C:29]([F:30])([F:31])[F:32])[cH:4][c:5]([C:8]([CH2:9][NH:10][C:11](=[O:12])[C:13]2([CH3:27])[N:14]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[C:15]([CH3:18])([CH3:19])[O:16][CH2:17]2)=[O:28])[cH:6][cH:7]1.[c:33]1([CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][OH:45])[cH:34][cH:35][cH:36][cH:37][cH:38]1.[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[O:1]([c:2]1[c:3]([C:29]([F:30])([F:31])[F:32])[cH:4][c:5]([C:8]([CH2:9][NH:10][C:11](=[O:12])[C:13]2([CH3:27])[N:14]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[C:15]([CH3:18])([CH3:19])[O:16][CH2:17]2)=[O:28])[cH:6][cH:7]1)[CH2:44][CH2:43][CH2:42][CH2:41][CH2:40][CH2:39][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1

参加物

6

反応物 5

HCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 5201106-Phenyl-1-hexanolHCID 68452521Tert-butyl 4-[[2-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

生成物 1

HCID 68456743Tert-butyl 2,2,4-trimethyl-4-[[2-oxo-2-[4-(6-phenylhexoxy)-3-(trifluoromethyl)phenyl]ethyl]carbamoyl]-1,3-oxazolidine-3-carboxylate

出典と根拠

ORDレコード
ord-84a0d553e3b1409597220a93945dd116
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

関連ノート

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