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Ammonium → 4-[3-[3-Tert-butyl-5-(4-methylphenyl)-4-phenylmethoxyphenyl]-3-hydroxyprop-1-ynyl]benzoic acid

HRID 1567055
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반응식

HRID 1567055 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:11][c:12]([CH:22]([C:23]#[CH:24])[OH:25])[cH:13][c:14]1-[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl-:40].[Cu:54]([I:55])[I:56].[I:30][c:31]1[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]1.[NH4+:41]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:11][c:12]([CH:22]([C:23]#[C:24][c:31]2[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]2)[OH:25])[cH:13][c:14]1-[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 120854-Iodobenzoic acidHCID 83717Copper iodideHCID 120848191-(6-Benzyloxy-5-tert-butyl-4'-methyl-3-biphenylyl)prop-2-yn-1-ol

생성물 1

HCID 100518564-[3-[3-Tert-butyl-5-(4-methylphenyl)-4-phenylmethoxyphenyl]-3-hydroxyprop-1-ynyl]benzoic acid

출처 및 근거

ORD 기록
ord-c3605407bf6d4a8cacac86017140e9f1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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