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Methanol → 2-(2-tert-butyl-7-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid

HRID 206457
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인쇄 미리보기

반응식

HRID 206457 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]2[c:8]([n:9][c:10]([CH3:32])[c:11]([CH:24]([C:25](=[O:26])[O:27][CH3:28])[CH2:29][CH2:30][CH3:31])[c:12]2-[c:13]2[cH:14][c:15]3[c:16]([cH:22][cH:23]2)[O:17][CH2:18][CH2:19][CH2:20][O:21]3)[cH:33]1.[CH3:37][OH:38].[Na+:35].[OH-:34].[OH2:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]2[c:8]([n:9][c:10]([CH3:32])[c:11]([CH:24]([C:25](=[O:26])[OH:27])[CH2:29][CH2:30][CH3:31])[c:12]2-[c:13]2[cH:14][c:15]3[c:16]([cH:22][cH:23]2)[O:17][CH2:18][CH2:19][CH2:20][O:21]3)[cH:33]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 67259657Methyl 2-(2-tert-butyl-7-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate

생성물 1

HCID 533071822-(2-tert-butyl-7-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid

출처 및 근거

ORD 기록
ord-156b0c6da4d8469ca4d15f01a28b3efe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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