Toluene → 4-Chloro-2-fluoro-5-{2-(ethoxycarbonylmethoxy)phenoxy}phenyl isocyanate
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[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cl:24][C:25](=[O:26])[O:27][C:28]([Cl:29])([Cl:30])[Cl:31].[NH2:1][c:2]1[c:3]([F:23])[cH:4][c:5]([Cl:22])[c:6]([O:7][c:8]2[c:9]([O:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:17][cH:18][cH:19][cH:20]2)[cH:21]1>>[N:1]([c:2]1[c:3]([F:23])[cH:4][c:5]([Cl:22])[c:6]([O:7][c:8]2[c:9]([O:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:17][cH:18][cH:19][cH:20]2)[cH:21]1)=[C:25]=[O:26]참가 물질
4
출처 및 근거
- ORD 기록
- ord-e43a6aa3b9de49a2af1d8925d245bf26
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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