Water → HCID 178456231, 화합물
반응식
[CH2:35]([C:36]#[CH:37])[Br:38].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[O:8]=[C:9]([CH2:10][CH2:11][CH:12]1[CH:13]([CH2:18][C:19](=[O:20])[O:21][CH3:22])[CH2:14][NH:15][CH2:16][CH2:17]1)[c:23]1[cH:24][cH:25][n:26][c:27]2[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][c:32]12.[OH2:39]>>[O:8]=[C:9]([CH2:10][CH2:11][CH:12]1[CH:13]([CH2:18][C:19](=[O:20])[O:21][CH3:22])[CH2:14][N:15]([CH2:37][C:36]#[CH:35])[CH2:16][CH2:17]1)[c:23]1[cH:24][cH:25][n:26][c:27]2[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][c:32]12참가 물질
6
출처 및 근거
- ORD 기록
- ord-5257cca55b904e1e8be1a1875c6d5564
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)