1-(Isopropylsulfonyl)piperazine → [5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-[4-(propane-2-sulfonyl)-piperazin-1-yl]-methanone

HRID 677573

반응식

HRID 677573 반응식
[CH3:33][CH:34]([CH3:35])[S:36](=[O:37])(=[O:38])[N:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21](=[O:22])[N:23]4[CH2:24][CH2:25][N:26]([S:27]([CH3:28])(=[O:29])=[O:30])[CH2:31][CH2:32]4)[nH:17][c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21](=[O:22])[N:42]4[CH2:41][CH2:40][N:39]([S:36]([CH:34]([CH3:33])[CH3:35])(=[O:37])=[O:38])[CH2:44][CH2:43]4)[nH:17][c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1

참가 물질

3

반응물 2

HCID 225628511-(Isopropylsulfonyl)piperazineHCID 68538245[5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4-methanesulfonyl-piperazin-1-yl)-methanone

생성물 1

HCID 68534115[5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-[4-(propane-2-sulfonyl)-piperazin-1-yl]-methanone

출처 및 근거

ORD 기록
ord-582b710f1a114edbb9a844438de83619
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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