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Citric Acid → 4-tert.-butyl-N-[6-(4-methoxy-2-butynyloxy)-5-(p-tolyl)-4-pyrimidinyl]-benzene sulfonamide

HRID 191538
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HRID 191538 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([Cl:28])[c:20]2-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:9][cH:10]1.[CH2:36]([OH:37])[C:38]#[C:39][CH2:40][OH:41].[CH3:29][O:30][CH2:31][C:32]#[C:33][CH2:34][OH:35].[CH3:42][O:43][S:44]([O:45][CH3:46])(=[O:47])=[O:48].[H-:50].[Na+:49].[OH:51][C:52]([CH2:53][C:54]([C:55](=[O:56])[OH:57])([CH2:58][C:59](=[O:60])[OH:61])[OH:62])=[O:63]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:35][CH2:34][C:33]#[C:32][CH2:31][O:30][CH3:29])[c:20]2-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:9][cH:10]1
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참가 물질

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반응물 7

HCID 311Citric AcidHCID 923Sodium IonHCID 6497Dimethyl SulfateHCID 80662-Butyne-1,4-diolHCID 166653HydrideHCID 5340554-Methoxy-2-butyn-1-olHCID 227294154-tert.-butyl-N-[6-chloro-5-(p-tolyl)4-pyrimidinyl]-benzene sulfonamide

생성물 1

HCID 102994234-tert.-butyl-N-[6-(4-methoxy-2-butynyloxy)-5-(p-tolyl)-4-pyrimidinyl]-benzene sulfonamide

출처 및 근거

ORD 기록
ord-e72e4cb445ee45edb2061b5029acd3aa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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