Dichloromethane → 1-(4-(4-(4-(methylsulfinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone

HRID 159704

반응식

HRID 159704 반응식
[CH3:1][S:2][c:3]1[c:4]2[c:5]([n:6][c:7]([NH:9][c:10]3[cH:11][cH:12][c:13]([N:16]4[CH2:17][CH2:18][N:19]([C:22]([CH3:23])=[O:24])[CH2:20][CH2:21]4)[cH:14][cH:15]3)[n:8]1)[nH:25][cH:26][cH:27]2.[Cl:39][CH2:40][Cl:41].[OH:28][O:29][C:30]([c:31]1[cH:32][c:33]([Cl:34])[cH:35][cH:36][cH:37]1)=[O:38]>>[CH3:1][S:2]([c:3]1[c:4]2[c:5]([n:6][c:7]([NH:9][c:10]3[cH:11][cH:12][c:13]([N:16]4[CH2:17][CH2:18][N:19]([C:22]([CH3:23])=[O:24])[CH2:20][CH2:21]4)[cH:14][cH:15]3)[n:8]1)[nH:25][cH:26][cH:27]2)=[O:28]

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 690231371-(4-(4-(4-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone

생성물 1

HCID 690231411-(4-(4-(4-(methylsulfinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone

출처 및 근거

ORD 기록
ord-5e8d910412b542a7a88ae81a9dcbbc58
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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