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Sodium Ion → 5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-(6-pent-4-ynoxyhexyl)-1,3-oxazolidin-2-one

HRID 196656
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반응식

HRID 196656 반응식
[CH2:21]([CH2:22][CH2:23][C:24]#[CH:25])[O:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][Br:33].[CH3:1][C:2]1([CH3:18])[O:3][CH2:4][c:5]2[c:6]([cH:8][cH:9][c:10]([CH:12]3[CH2:13][NH:14][C:15](=[O:17])[O:16]3)[cH:11]2)[O:7]1.[H-:19].[Na+:20].[O-:34][P:35](=[O:36])([O-:37])[O-:38].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[CH3:1][C:2]1([CH3:18])[O:3][CH2:4][c:5]2[c:6]([cH:8][cH:9][c:10]([CH:12]3[CH2:13][N:14]([CH2:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][O:26][CH2:21][CH2:22][CH2:23][C:24]#[CH:25])[C:15](=[O:17])[O:16]3)[cH:11]2)[O:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium IonHCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 166653HydrideHCID 218670785-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxazolidinone, (A+-)-HCID 218671996-Bromohexyl 4-pentyn-1-yl ether

생성물 1

HCID 218954025-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-(6-pent-4-ynoxyhexyl)-1,3-oxazolidin-2-one

출처 및 근거

ORD 기록
ord-83209c0fc292429fae05d9c38b0f4f0f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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