Toluene → HCID 69075315, 화합물
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH2:23][NH:24][CH:25]([CH:26]([CH3:27])[CH3:28])[c:29]1[n:30][c:31]2[cH:32][c:33]([Cl:47])[cH:34][cH:35][c:36]2[c:37](=[O:46])[n:38]1[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)=[O:48].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:56]1([CH3:65])[cH:57][cH:58][c:59]([C:62](=[O:63])[Cl:64])[cH:60][cH:61]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH2:23][N:24]([CH:25]([CH:26]([CH3:27])[CH3:28])[c:29]1[n:30][c:31]2[cH:32][c:33]([Cl:47])[cH:34][cH:35][c:36]2[c:37](=[O:46])[n:38]1[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[C:62]([c:59]1[cH:58][cH:57][c:56]([CH3:65])[cH:61][cH:60]1)=[O:63])=[O:48]참가 물질
5
출처 및 근거
- ORD 기록
- ord-451dad7b8de8469e80c283b29c5678b2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)