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Water → 1-(4-Fluorophenyl)-3-(4-benzyloxyphenoxy)methyl-2-methyl-5-(4-methylsulfonylphenyl)pyrrole

HRID 1568147
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HRID 1568147 반응식
[CH2:45]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[O:52][c:53]1[cH:54][cH:55][c:56]([OH:59])[cH:57][cH:58]1.[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9]([CH3:25])[c:10]([CH2:23][OH:24])[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]2)[cH:6][cH:7]1.[OH2:60].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9]([CH3:25])[c:10]([CH2:23][O:24][c:56]3[cH:55][cH:54][c:53]([O:52][CH2:45][c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[cH:58][cH:57]3)[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]2)[cH:6][cH:7]1
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참가 물질

6

반응물 5

HCID 962WaterHCID 7638MonobenzoneHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 105463821-(4-Fluorophenyl)-4-hydroxymethyl-5-methyl-2-(4-methylsulfonylphenyl)pyrrole

생성물 1

HCID 224606781-(4-Fluorophenyl)-3-(4-benzyloxyphenoxy)methyl-2-methyl-5-(4-methylsulfonylphenyl)pyrrole

출처 및 근거

ORD 기록
ord-8e7a404101cf47dabfa9deef4ec9570c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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