Chloride → HCID 20154087, 화합물
반응식
[C:1]12([CH2:11][C:12](=[O:13])[c:14]3[cH:15][cH:16][c:17]([OH:20])[cH:18][cH:19]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[Cl-:21].[Cl:22][c:23]1[cH:24][cH:25][c:26]([O:27][C:28]([C:29](=[O:30])[OH:31])([CH3:32])[CH3:33])[cH:34][cH:35]1.[OH2:42].[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[C:1]12([CH2:11][C:12](=[O:13])[c:14]3[cH:15][cH:16][c:17]([O:20][C:29]([C:28]([O:27][c:26]4[cH:25][cH:24][c:23]([Cl:22])[cH:35][cH:34]4)([CH3:32])[CH3:33])=[O:30])[cH:18][cH:19]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2참가 물질
6
출처 및 근거
- ORD 기록
- ord-28e131e624bb411f82daa1b6aa29be7b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)