3-Fluoroaniline → HCID 178430384, 화합물

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[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][N:19]3[CH2:20][CH:21]([CH3:32])[N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[cH:16][cH:17]2)[cH:6][n:7]1.[F:41][c:42]1[cH:43][cH:44][c:45]([NH:46][c:47]2[n:48][cH:49][c:50]([S:51]([NH:52][c:53]3[cH:54][cH:55][c:56]([CH2:57][N:58]4[CH2:59][CH2:60][N:61]([C:62]([O:63][C:64]([CH3:65])([CH3:66])[CH3:67])=[O:68])[CH:69]([CH3:70])[CH2:71]4)[cH:72][cH:73]3)(=[O:74])=[O:75])[cH:76][cH:77]2)[cH:78][cH:79]1.[NH2:33][c:34]1[cH:35][cH:36][cH:37][c:38]([F:39])[cH:40]1>>[c:2]1([NH:33][c:34]2[cH:35][cH:36][cH:37][c:38]([F:39])[cH:40]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][N:19]3[CH2:20][CH:21]([CH3:32])[N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[cH:16][cH:17]2)[cH:6][n:7]1

참가 물질

반응물 3

HCID 97423-Fluoroaniline

HCID 178430378HCID 178430378, 화합물

HCID 178430386HCID 178430386, 화합물

생성물 1

HCID 178430384HCID 178430384, 화합물

출처 및 근거

ORD 기록: ord-34f0dfc4ff494c5887350b47aa848113
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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