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Bromide ion → methyl 2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-3-nitrophenoxy]acetate

HRID 157994
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HRID 157994 반응식
[Br-:20].[C:50](=[O:51])([O-:52])[O-:53].[CH3:57][OH:58].[CH:1](=[O:2])[c:3]1[c:4]([N+:17](=[O:18])[O-:19])[c:5]([O:15][CH3:16])[c:6]([O:7][CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:13][cH:14]1.[K+:54].[K+:55].[OH2:56].[nH:21]1[n:22][c:23]([CH2:30][P+:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]12>>[CH:1]([c:3]1[c:4]([N+:17](=[O:18])[O-:19])[c:5]([O:15][CH3:16])[c:6]([O:7][CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:13][cH:14]1)=[CH:30][c:23]1[n:22][nH:21][c:29]2[c:24]1[cH:25][cH:26][cH:27][cH:28]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 259Bromide ionHCID 813Potassium Cation2회HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 86628221Methyl (4-formyl-2-methoxy-3-nitrophenoxy)acetateHCID 178420543HCID 178420543, 화합물

생성물 1

HCID 91036614methyl 2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-3-nitrophenoxy]acetate

출처 및 근거

ORD 기록
ord-ec911d16bed04e4c96f229bb715e324b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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