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Toluene → 6-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenoxy]-nicotinonitrile

HRID 136381
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HRID 136381 반응식
[CH2:32]([P:33]([CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH3:44].[CH3:63][CH2:64][O:65][CH2:66][CH3:67].[Cl:68][CH2:69][Cl:70].[N:45]([C:46]([N:47]1[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1)=[O:53])=[N:54][C:55]([N:56]1[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1)=[O:62].[OH:18][c:19]1[c:20]([C:29]([CH3:30])=[O:31])[cH:21][cH:22][c:23]([OH:28])[c:24]1[CH2:25][CH2:26][CH3:27].[OH:1][CH2:2][c:3]1[cH:4][c:5]([O:6][c:7]2[n:8][cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[cH:15][cH:16][cH:17]1.[c:71]1([CH3:72])[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[O:1]([CH2:2][c:3]1[cH:4][c:5]([O:6][c:7]2[n:8][cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[cH:15][cH:16][cH:17]1)[c:23]1[cH:22][cH:21][c:20]([C:29]([CH3:30])=[O:31])[c:19]([OH:18])[c:24]1[CH2:25][CH2:26][CH3:27]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 1140TolueneHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 13831TributylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 27751982',4'-Dihydroxy-3'-propylacetophenoneHCID 616796946-(3-Hydroxymethyl-phenoxy)-nicotinonitrile

생성물

1
HCID 685352096-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenoxy]-nicotinonitrile

출처 및 근거

ORD 기록
ord-a75d31200b4f4e1ebf42a95c7c1dc307
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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