Toluene → HCID 76834749, 화합물
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[C:31]([CH:32]=[P:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])#[N:46].[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:30])[C:5](=[O:29])[N:6]([CH:24]([CH2:25][OH:26])[CH2:27][CH3:28])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[SH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:30])[C:5](=[O:29])[N:6]([CH:24]([CH2:25][S:47][c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[CH2:27][CH3:28])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-2a6a31a709664e2dad1b5b9b9888cfcb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)