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Acetonitrile → 4-cyclopropyl-3-ethoxy-N-[(2-iodo-6-methoxyphenyl)sulfonyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide

HRID 1571493
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인쇄 미리보기

반응식

HRID 1571493 반응식
[CH3:46][C:47]#[N:48].[CH:14]1([n:17]2[c:18]([O:32][CH2:33][CH3:34])[n:19][n:20]([C:23](=[O:24])[O:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:21]2=[O:22])[CH2:15][CH2:16]1.[I:1][c:2]1[c:3]([S:10](=[O:11])(=[O:12])[NH2:13])[c:4]([O:8][CH3:9])[cH:5][cH:6][cH:7]1.[N:35]12[CH2:36][CH2:37][CH2:38][N:39]=[C:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2>>[I:1][c:2]1[c:3]([S:10](=[O:11])(=[O:12])[NH:13][C:23]([n:20]2[n:19][c:18]([O:32][CH2:33][CH3:34])[n:17]([CH:14]3[CH2:15][CH2:16]3)[c:21]2=[O:22])=[O:24])[c:4]([O:8][CH3:9])[cH:5][cH:6][cH:7]1
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참가 물질

5

반응물 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 120566244-cyclopropyl-3-ethoxy-5-oxo-1-phenyloxycarbonyl-4,5-dihydro-1H-1,2,4-triazoleHCID 231507892-Iodo-6-methoxybenzenesulfonamide

생성물 1

HCID 119477864-cyclopropyl-3-ethoxy-N-[(2-iodo-6-methoxyphenyl)sulfonyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide

출처 및 근거

ORD 기록
ord-a156ea5ac2e742ae96085424cd98648b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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