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Bicarbonate Ion → 3-[2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-piperidinyl]ethyl]-6-nitro-2,4(1H,3H)-quinazolinedione

HRID 318808
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인쇄 미리보기

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HRID 318808 반응식
[C:37](=[O:38])([O-:39])[OH:40].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl:1][CH2:2][CH2:3][n:4]1[c:5](=[O:18])[nH:6][c:7]2[cH:8][cH:9][c:10]([N+:15](=[O:16])[O-:17])[cH:11][c:12]2[c:13]1=[O:14].[F:19][c:20]1[cH:21][cH:22][c:23]([C:26]2([CH:31]3[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]3)[O:27][CH2:28][CH2:29][O:30]2)[cH:24][cH:25]1.[I-:43].[K+:42].[Na+:41]>>[CH2:2]([CH2:3][n:4]1[c:5](=[O:18])[nH:6][c:7]2[cH:8][cH:9][c:10]([N+:15](=[O:16])[O-:17])[cH:11][c:12]2[c:13]1=[O:14])[N:34]1[CH2:33][CH2:32][CH:31]([C:26]2([c:23]3[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]3)[O:27][CH2:28][CH2:29][O:30]2)[CH2:36][CH2:35]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium IonHCID 6228DimethylformamideHCID 30165Iodide IonHCID 132790992-(4-Fluorophenyl)-2-(4-piperidyl)1,3-dioxolaneHCID 138512013-(2-chloroethyl)-6-nitro-2,4(1H,3H)-quinazolinedione

생성물

1
HCID 138511763-[2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-piperidinyl]ethyl]-6-nitro-2,4(1H,3H)-quinazolinedione

출처 및 근거

ORD 기록
ord-541b4dd3459f4ff3b255798d7241aa4f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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