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Pyridine → 2-[2-Ethoxy-5-(benzofurazane-4-sulfonylamino)phenyl]-5-methyl-7-cyclopentyl-3H-imidazo-[5,1-f][1,2,4]-triazin-4-one

HRID 665581
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HRID 665581 반응식
[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:24][CH2:25][CH3:26])[c:6](-[c:8]2[n:9][n:10]3[c:11]([c:12](=[O:14])[nH:13]2)[c:15]([CH3:23])[n:16][c:17]3[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:7]1.[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1.[n:27]1[c:28]2[c:29]([n:30][o:31]1)[c:32]([S:36](=[O:37])(=[O:38])[Cl:39])[cH:33][cH:34][cH:35]2>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:24][CH2:25][CH3:26])[c:6](-[c:8]2[n:9][n:10]3[c:11]([c:12](=[O:14])[nH:13]2)[c:15]([CH3:23])[n:16][c:17]3[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:7]1)[S:36]([c:32]1[c:29]2[c:28]([n:27][o:31][n:30]2)[cH:35][cH:34][cH:33]1)(=[O:37])=[O:38]
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반응물 3

HCID 1049PyridineHCID 27354462,1,3-Benzoxadiazole-4-sulfonyl chlorideHCID 1356049412-(5-Amino-2-ethoxyphenyl)-5-methyl-7-cyclopentyl-3H-imidazo[5,1-f][1,2,4]-triazin-4-one

생성물 1

HCID 1356049602-[2-Ethoxy-5-(benzofurazane-4-sulfonylamino)phenyl]-5-methyl-7-cyclopentyl-3H-imidazo-[5,1-f][1,2,4]-triazin-4-one

출처 및 근거

ORD 기록
ord-dba90c201754423891b46bfcd43c935f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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