Dichloromethane → HCID 178476181, 화합물
반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([SH:7])[O:8][CH:9]([CH2:20][O:21][C:22]([CH3:23])=[O:24])[CH:10]([O:16][C:17]([CH3:18])=[O:19])[CH:11]1[O:12][C:13]([CH3:14])=[O:15].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[Cl:67][CH2:68][Cl:69].[I:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][O:32][CH:33]1[CH2:34][C:35]2=[CH:36][CH2:37][CH:38]3[CH:39]4[CH2:40][CH2:41][CH:42]([CH:43]([CH2:44][CH2:45][CH2:46][CH:47]([CH3:48])[CH3:49])[CH3:50])[C:51]4([CH3:59])[CH2:52][CH2:53][CH:54]3[C:55]2([CH3:58])[CH2:56][CH2:57]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([S:7][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][O:32][CH:33]2[CH2:34][C:35]3=[CH:36][CH2:37][CH:38]4[CH:39]5[CH2:40][CH2:41][CH:42]([CH:43]([CH2:44][CH2:45][CH2:46][CH:47]([CH3:48])[CH3:49])[CH3:50])[C:51]5([CH3:59])[CH2:52][CH2:53][CH:54]4[C:55]3([CH3:58])[CH2:56][CH2:57]2)[O:8][CH:9]([CH2:20][O:21][C:22]([CH3:23])=[O:24])[CH:10]([O:16][C:17]([CH3:18])=[O:19])[CH:11]1[O:12][C:13]([CH3:14])=[O:15]참가 물질
5
출처 및 근거
- ORD 기록
- ord-36aa59c2be304e7388f4b519bbbbdd10
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)