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Ammonium → 5-(2,4-Bis-benzyloxy-5-chloro-phenyl)-4-iodo-isoxazole-3-carboxylic acid ethylamide

HRID 2130481
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HRID 2130481 반응식
[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[n:7][o:8][c:9](-[c:11]2[c:12]([O:26][CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:13][c:14]([O:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:15]([Cl:17])[cH:16]2)[cH:10]1.[CH3:64][C:65]#[N:66].[Ce+4:46].[I:34][N:35]1[C:36](=[O:37])[CH2:38][CH2:39][C:40]1=[O:41].[N+:42]([O-:43])([O-:44])=[O:45].[N+:48]([O-:49])([O-:50])=[O:51].[N+:52]([O-:53])([O-:54])=[O:55].[N+:56]([O-:57])([O-:58])=[O:59].[N+:60]([O-:61])([O-:62])=[O:63].[NH4+:47]>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[n:7][o:8][c:9](-[c:11]2[c:12]([O:26][CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:13][c:14]([O:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:15]([Cl:17])[cH:16]2)[c:10]1[I:34]
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참가 물질

7

반응물 6

HCID 223AmmoniumHCID 943Nitrate5회HCID 6342AcetonitrileHCID 119438Cerium(4+)HCID 120273N-IodosuccinimideHCID 247740415-(2,4-Bis(benzyloxy)-5-chlorophenyl)-N-ethylisoxazole-3-carboxamide

생성물 1

HCID 59264767
5-(2,4-Bis-benzyloxy-5-chloro-phenyl)-4-iodo-isoxazole-3-carboxylic acid ethylamide

출처 및 근거

ORD 기록
ord-b2eee13c795f4b2f835eb21b7cb6b7f3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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