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Dichloromethane → Dimethyl 2-[(4-but-2-ynyloxybenzenesulfonylamino)methyl]-2-(4-methanesulfonylpiperazin-1-yl)malonate

HRID 1220895
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인쇄 미리보기

반응식

HRID 1220895 반응식
[CH2:13]([C:14]#[C:15][CH3:16])[O:17][c:18]1[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[NH:27][CH2:28][C:29]([C:30](=[O:31])[O:32][CH3:33])([C:34](=[O:35])[O:36][CH3:37])[N:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[cH:22][cH:23]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:8][S:9]([Cl:10])(=[O:11])=[O:12].[Cl:44][CH2:45][Cl:46]>>[CH3:8][S:9](=[O:11])(=[O:12])[N:41]1[CH2:40][CH2:39][N:38]([C:29]([CH2:28][NH:27][S:24]([c:21]2[cH:20][cH:19][c:18]([O:17][CH2:13][C:14]#[C:15][CH3:16])[cH:23][cH:22]2)(=[O:25])=[O:26])([C:30](=[O:31])[O:32][CH3:33])[C:34](=[O:35])[O:36][CH3:37])[CH2:43][CH2:42]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 71115173Dimethyl 2-[(4-but-2-ynyloxybenzenesulfonylamino)methyl]-2-piperazin-1-ylmalonate

생성물 1

HCID 71115264Dimethyl 2-[(4-but-2-ynyloxybenzenesulfonylamino)methyl]-2-(4-methanesulfonylpiperazin-1-yl)malonate

출처 및 근거

ORD 기록
ord-a3fd491bd7c348fc9f724367e94b4d61
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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