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Hydroxide → 3-[1-(4,6-Dimethyl-1,2-benzisothiazol-3-ylmethyl)-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl]-pentanoic acid

HRID 2321710
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인쇄 미리보기

반응식

HRID 2321710 반응식
[CH2:35]1[O:36][CH2:37][CH2:38][O:39][CH2:40]1.[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:1][O:2][C:3]([CH2:4][CH:5]([CH2:6][CH3:7])[n:8]1[c:9](=[O:31])[n:10]([CH2:19][c:20]2[n:21][s:22][c:23]3[c:24]2[c:25]([CH3:30])[cH:26][c:27]([CH3:29])[cH:28]3)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1=[O:18])=[O:32].[Li+:34].[OH-:33].[OH2:46]>>[O:2]=[C:3]([CH2:4][CH:5]([CH2:6][CH3:7])[n:8]1[c:9](=[O:31])[n:10]([CH2:19][c:20]2[n:21][s:22][c:23]3[c:24]2[c:25]([CH3:30])[cH:26][c:27]([CH3:29])[cH:28]3)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1=[O:18])[OH:32]
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참가 물질

7

반응물 6

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 687484073-[1-(4,6-Dimethyl-1,2-benzisothiazol-3-ylmethyl)-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl]-pentanoic acid methyl ester

생성물 1

HCID 25191099
3-[1-(4,6-Dimethyl-1,2-benzisothiazol-3-ylmethyl)-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl]-pentanoic acid

출처 및 근거

ORD 기록
ord-8caa5117e6624e66b7de6f2a0ab47070
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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