Carbonate Ion → HCID 178497956, 화합물

HRID 212860노트

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HRID 212860 반응식
[C:41](=[O:42])([O-:43])[O-:44].[CH3:29][O:30][C:31]([c:32]1[cH:33][n:34][c:35]([CH2:38][Br:39])[cH:36][cH:37]1)=[O:40].[Cl:1][c:2]1[cH:3][c:4]([OH:28])[c:5]([O:6][CH2:7][C:8](=[O:9])[N:10]2[CH:11]([CH3:25])[CH2:12][N:13]([CH2:17][c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[CH:14]([CH3:16])[CH2:15]2)[cH:26][cH:27]1.[Cs+:45].[Cs+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[Cl:1][c:2]1[cH:3][c:4]([O:28][CH2:38][c:35]2[n:34][cH:33][c:32]([C:31]([O:30][CH3:29])=[O:40])[cH:37][cH:36]2)[c:5]([O:6][CH2:7][C:8](=[O:9])[N:10]2[CH:11]([CH3:25])[CH2:12][N:13]([CH2:17][c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[CH:14]([CH3:16])[CH2:15]2)[cH:26][cH:27]1

참가 물질

6

반응물 5

HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2회HCID 127522376-Bromomethyl-nicotinic acid methyl esterHCID 219734192-(4-Chloro-2-hydroxyphenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

생성물 1

HCID 178497956HCID 178497956, 화합물

출처 및 근거

ORD 기록
ord-862200a2ddef48d0b53e78b2d2519f3d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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