반응식
[CH3:65][CH2:66][O:67][CH2:68][CH2:69][OH:70].[Cl:1][c:2]1[c:3]([C:22]#[N:23])[cH:4][n:5][c:6]2[cH:7][c:8]3[c:9]([cH:10][c:11]12)[cH:12][c:13]([O:20][CH3:21])[c:14]([O:16][CH2:17][CH2:18][Cl:19])[cH:15]3.[Cl:24][c:25]1[c:26]2[c:27]([cH:28][c:29]3[cH:30][c:31]([O:32][CH3:33])[c:34]([O:35][CH2:36][CH2:37][Cl:38])[cH:39][c:40]3[cH:41]2)[n:42][cH:43][c:44]1[C:45]#[N:46].[Cl:54][c:55]1[c:56]([NH2:57])[cH:58][c:59]([O:63][CH3:64])[c:60]([Cl:62])[cH:61]1.[ClH:47].[n:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[c:2]1([NH:57][c:56]2[c:55]([Cl:54])[cH:61][c:60]([Cl:62])[c:59]([O:63][CH3:64])[cH:58]2)[c:3]([C:22]#[N:23])[cH:4][n:5][c:6]2[cH:7][c:8]3[c:9]([cH:10][c:11]12)[cH:12][c:13]([O:20][CH3:21])[c:14]([O:16][CH2:17][CH2:18][Cl:19])[cH:15]3참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-807ec96627584fcfae178d7098ff84f7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…