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Potassium Cation → 6-(2-Ethylhexanamido)-1-[2-methoxy-4-[2-(phenylsulphonyl)acetyl]benzyl]indole

HRID 305600
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HRID 305600 반응식
[K+:62].[Li:1][CH2:2][CH2:3][CH2:4][CH3:5].[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1.[OH:63][P:64](=[O:65])([O-:66])[OH:67].[c:16]1([N:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[C:24]([O:25][C:26]([c:27]2[cH:28][c:29]([O:53][CH3:54])[c:30]([CH2:33][n:34]3[cH:35][cH:36][c:37]4[cH:38][cH:39][c:40]([NH:43][C:44]([CH:45]([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH3:51])=[O:52])[cH:41][c:42]34)[cH:31][cH:32]2)=[O:55])=[O:56])[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:6]1([S:12](=[O:13])(=[O:14])[CH3:15])[cH:7][cH:8][cH:9][cH:10][cH:11]1>>[c:6]1([S:12](=[O:13])(=[O:14])[CH2:15][C:26](=[O:25])[c:27]2[cH:28][c:29]([O:53][CH3:54])[c:30]([CH2:33][n:34]3[cH:35][cH:36][c:37]4[cH:38][cH:39][c:40]([NH:43][C:44]([CH:45]([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH3:51])=[O:52])[cH:41][c:42]34)[cH:31][cH:32]2)[cH:7][cH:8][cH:9][cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

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7

반응물 6

HCID 813Potassium CationHCID 1003DihydrogenphosphateHCID 8028TetrahydrofuranHCID 18369Methyl phenyl sulfoneHCID 147530114-[6-(2-ethylhexanamido)indole-1-yl-methyl]-3-methoxybenzoic N,N-diphenylcarbamic anhydrideHCID 178418339Butyllithium

생성물 1

HCID 14753070
6-(2-Ethylhexanamido)-1-[2-methoxy-4-[2-(phenylsulphonyl)acetyl]benzyl]indole

출처 및 근거

ORD 기록
ord-a1496dc2be644eee9b749f0e80122656
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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