Ammonium → 5-Chloro-3,3-diMethylindoline
반응식
[BH4-:14].[CH:24]([Cl:25])([Cl:26])[Cl:27].[Cl-:17].[Cl:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2([CH3:12])[CH3:13].[I:16].[NH4+:18].[Na+:15].[O:19]1[CH2:20][CH2:21][CH2:22][CH2:23]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][CH2:6][C:5]2([CH3:12])[CH3:13]참가 물질
9
출처 및 근거
- ORD 기록
- ord-a16bb271acc34af2a73760d5de8450f8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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