Tetrahydrofuran → HCID 19026345, 화합물
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[C:58]([O:59][C:60]([CH3:61])([CH3:62])[CH3:63])([O:64][CH2:65][Cl:66])=[O:67].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH2:8]([CH3:9])[c:10]1[n:11][c:12]([CH2:55][CH2:56][CH3:57])[n:13]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26](-[c:31]4[n:32][n:33][n:34][n:35]4[C:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[c:14]1[C:15](=[O:16])[O-:17].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7]>>[CH2:8]([CH3:9])[c:10]1[n:11][c:12]([CH2:55][CH2:56][CH3:57])[n:13]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26](-[c:31]4[n:32][n:33][n:34][n:35]4[C:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[c:14]1[C:15](=[O:16])[O:17][CH2:65][O:64][C:58]([O:59][C:60]([CH3:61])([CH3:62])[CH3:63])=[O:67]참가 물질
5
출처 및 근거
- ORD 기록
- ord-b4700eee871748d2928fdb49a3e9f999
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)