Hydrochloric Acid → HCID 53838961、化合物
反応式
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:1][C:2](=[CH:3][C:4]#[N:5])[CH2:6][CH2:7][CH:8]=[C:9]([CH2:10][CH2:11][CH:12]=[C:13]([CH2:14][CH2:15][CH:16]=[C:17]([CH2:18][CH2:19][CH:20]=[C:21]([CH2:22][CH2:23][CH:24]=[C:25]([CH2:26][CH2:27][CH:28]=[C:29]([CH2:30][CH2:31][CH:32]=[C:33]([CH3:34])[CH3:35])[CH3:36])[CH3:37])[CH3:38])[CH3:39])[CH3:40])[CH3:41].[CH3:42][OH:43].[ClH:45].[Na:44]>>[CH3:1][CH:2]([CH2:3][C:4]#[N:5])[CH2:6][CH2:7][CH:8]=[C:9]([CH2:10][CH2:11][CH:12]=[C:13]([CH2:14][CH2:15][CH:16]=[C:17]([CH2:18][CH2:19][CH:20]=[C:21]([CH2:22][CH2:23][CH:24]=[C:25]([CH2:26][CH2:27][CH:28]=[C:29]([CH2:30][CH2:31][CH:32]=[C:33]([CH3:34])[CH3:35])[CH3:36])[CH3:37])[CH3:38])[CH3:39])[CH3:40])[CH3:41]参加物
6
出典と根拠
- ORDレコード
- ord-e07738c3a07d4e46983a4277e4277db3
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)