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Dichloromethane → N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-3-(3-cyanophenyl)-4-methylpent-2-enamide

HRID 190108
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HRID 190108 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10](-[c:15]2[cH:16][cH:17][c:18]([NH2:21])[cH:19][cH:20]2)[cH:11][cH:12][cH:13][cH:14]1.[C:32](#[N:33])[c:34]1[cH:35][c:36]([C:40](=[CH:41][C:42](=[O:43])[O:44][CH3:45])[CH:46]([CH3:47])[CH3:48])[cH:37][cH:38][cH:39]1.[CH3:22][Al:23]([CH3:24])[CH3:25].[CH3:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31].[Cl:49][CH2:50][Cl:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10](-[c:15]2[cH:16][cH:17][c:18]([NH:21][C:42]([CH:41]=[C:40]([c:36]3[cH:35][c:34]([C:32]#[N:33])[cH:39][cH:38][cH:37]3)[CH:46]([CH3:47])[CH3:48])=[O:43])[cH:19][cH:20]2)[cH:11][cH:12][cH:13][cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6344DichloromethaneHCID 8058HexaneHCID 10804475N-tert-butyl-4'-aminobiphenyl-2-sulfonamideHCID 16682925TrimethylaluminumHCID 54296942Methyl 3-(3-cyanophenyl)-4-methylpent-2-enoate

생성물 1

HCID 53874782N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-3-(3-cyanophenyl)-4-methylpent-2-enamide

출처 및 근거

ORD 기록
ord-871ade840c5c48d2a1da9b19faf504cc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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