Toluene → HCID 22132678, 화합물

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[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:23][c:24]1[c:25]([N+:33](=[O:34])[O-:35])[cH:26][c:27]([N:30]=[C:31]=[O:32])[cH:28][cH:29]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH:22][C:31]([NH:30][c:27]4[cH:26][c:25]([N+:33](=[O:34])[O-:35])[c:24]([Cl:23])[cH:29][cH:28]4)=[O:32])[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]

참가 물질

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HCID 1140Toluene

HCID 142448Isocyanic Acid 4-Chloro-3-nitrophenyl Ester

HCID 115945434-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline

생성물 1

HCID 22132678HCID 22132678, 화합물

출처 및 근거

ORD 기록: ord-43071cffc55f4d8ca20645206380dfd2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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