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Pipecolic Acid → 1-[4-(5-Cyano-1-methylsulfonylindol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid

HRID 98700
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HRID 98700 반응식
[C:35]([c:36]1[cH:37][c:38]2[c:39]([cH:40][cH:41]1)[n:42]([S:43]([CH3:44])(=[O:45])=[O:47])[cH:46][c:48]2[CH:49]1[CH2:50][CH2:51][N:52]([S:53]([Cl:54])(=[O:55])=[O:56])[CH2:57][CH2:58]1)#[N:59].[C:65]([CH:66]([CH:67]([C:68]([OH:69])=[O:70])[OH:71])[OH:72])([OH:73])=[O:74].[NH:75]1[CH2:76][CH2:77][CH2:78][CH2:79][CH:80]1[C:81]([OH:82])=[O:83].[OH:1][NH:2][C:3](=[O:4])[CH:5]1[N:6]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][CH2:16][CH:17]([c:20]3[cH:21][n:22]([S:31](=[O:32])(=[O:33])[CH3:34])[c:23]4[cH:24][cH:25][c:26]([C:29]#[N:30])[cH:27][c:28]34)[CH2:18][CH2:19]2)[CH2:7][CH2:8][CH2:9][CH2:10]1.[S:60]([Cl:61])([Cl:62])(=[O:63])=[O:64]>>[C:3](=[O:4])([CH:5]1[N:6]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][CH2:16][CH:17]([c:20]3[cH:21][n:22]([S:31](=[O:32])(=[O:33])[CH3:34])[c:23]4[cH:24][cH:25][c:26]([C:29]#[N:30])[cH:27][c:28]34)[CH2:18][CH2:19]2)[CH2:7][CH2:8][CH2:9][CH2:10]1)[OH:47]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 849Pipecolic AcidHCID 8752,3-Dihydroxybutanedioic AcidHCID 24648Sulfuryl chlorideHCID 226158104-(5-Cyano-1-methanesulfonylindol-3-yl)piperidine-1-sulfonyl chlorideHCID 178504929HCID 178504929, 화합물

생성물 1

HCID 22615604
1-[4-(5-Cyano-1-methylsulfonylindol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid

출처 및 근거

ORD 기록
ord-1939b632b0494546b383316e6b4d0276
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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