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Benzene → 2-Iodo-6-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenol

HRID 161615
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HRID 161615 반응식
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:13]([CH2:14][SH:15])[SH:16])[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[I:17][c:18]1[c:19]([OH:28])[c:20]([O:26][CH3:27])[cH:21][c:22]([CH:23]=[O:24])[cH:25]1.[OH2:52].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([O-:35])(=[O:36])=[O:37])[cH:38][cH:39]1.[cH:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[nH+:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:13]2[CH2:14][S:15][CH:23]([c:22]3[cH:21][c:20]([O:26][CH3:27])[c:19]([OH:28])[c:18]([I:17])[cH:25]3)[S:16]2)[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 241Benzene2회HCID 962WaterHCID 79499Benzaldehyde, 4-hydroxy-3-iodo-5-methoxy-HCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 190417461-(3,4,5-Trimethoxyphenyl)-1,2-ethanedithiol

생성물 1

HCID 19041761
2-Iodo-6-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenol

출처 및 근거

ORD 기록
ord-d52d7890d01743018e68ff5bd4f9aae0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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