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Toluene → Methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-(thiophen-2-ylsulfonylamino)ethyl]-3-methyl-2-oxopiperidin-3-yl]acetate

HRID 90063
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HRID 90063 반응식
[C:34]([CH:35]=[P:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])#[N:49].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH3:28])([CH2:29][C:30](=[O:31])[O:32][CH3:33])[C:11](=[O:27])[N:12]([CH:21]([CH2:22][OH:23])[CH:24]3[CH2:25][CH2:26]3)[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1.[s:50]1[c:51]([S:55](=[O:56])(=[O:57])[NH2:58])[cH:52][cH:53][cH:54]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH3:28])([CH2:29][C:30](=[O:31])[O:32][CH3:33])[C:11](=[O:27])[N:12]([CH:21]([CH2:22][NH:58][S:55]([c:51]3[s:50][cH:54][cH:53][cH:52]3)(=[O:56])=[O:57])[CH:24]3[CH2:25][CH2:26]3)[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1140TolueneHCID 728812-ThiophenesulfonamideHCID 4622928CyanomethylenetributylphosphoraneHCID 76834626Methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(1-cyclopropyl-2-hydroxyethyl)-3-methyl-2-oxopiperidin-3-yl]acetate

생성물 1

HCID 76834650Methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-(thiophen-2-ylsulfonylamino)ethyl]-3-methyl-2-oxopiperidin-3-yl]acetate

출처 및 근거

ORD 기록
ord-611fd169e7a54b228d63848c24514509
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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