2-Chloro-4-methoxybenzeneboronic acid → HCID 22147360, 화합물

HRID 304799

반응식

HRID 304799 반응식
[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][C:38](=[O:39])[N:40]1[CH2:41][CH:42]([NH:46][c:47]2[n:48][c:49]([CH2:56][CH3:57])[c:50]([Br:55])[n:51][c:52]2[CH2:53][CH3:54])[CH:43]([OH:45])[CH2:44]1.[Cl:1][c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1-[c:9]1[n:10][c:11]([CH2:12][CH3:13])[c:14]([NH:15][CH:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[CH2:23][CH:24]2[OH:25])[n:26][c:27]1[CH2:28][CH3:29].[Cl:58][c:59]1[c:60]([B:67]([OH:68])[OH:69])[cH:61][cH:62][c:63]([O:65][CH3:66])[cH:64]1>>[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][C:38](=[O:39])[N:40]1[CH2:41][CH:42]([NH:46][c:47]2[n:48][c:49]([CH2:56][CH3:57])[c:50](-[c:60]3[c:59]([Cl:58])[cH:64][c:63]([O:65][CH3:66])[cH:62][cH:61]3)[n:51][c:52]2[CH2:53][CH3:54])[CH:43]([OH:45])[CH2:44]1

참가 물질

4

반응물 3

HCID 27733302-Chloro-4-methoxybenzeneboronic acidHCID 22147218HCID 22147218, 화합물HCID 221472271-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

생성물 1

HCID 22147360HCID 22147360, 화합물

출처 및 근거

ORD 기록
ord-8f29a36dc2864f67bc37957baa56ed19
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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