Toluene → HCID 72271126, 화합물

HRID 109986

반응식

HRID 109986 반응식
[CH2:14]([CH3:15])[O:16][CH2:17][CH2:18][O:19][c:20]1[cH:21][c:22]([CH3:35])[c:23](-[c:27]2[cH:28][c:29]([CH2:33][OH:34])[cH:30][cH:31][cH:32]2)[c:24]([CH3:26])[cH:25]1.[CH2:36]([P:37]([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH3:48].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH3:74][CH2:75][CH2:76][CH2:77][CH2:78][CH3:79].[N:49]([C:50]([N:51]1[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1)=[O:57])=[N:58][C:59]([N:60]1[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1)=[O:66].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH3:13])[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH3:13])[cH:6][cH:7]1)[CH2:33][c:29]1[cH:28][c:27](-[c:23]2[c:22]([CH3:35])[cH:21][c:20]([O:19][CH2:18][CH2:17][O:16][CH2:14][CH3:15])[cH:25][c:24]2[CH3:26])[cH:32][cH:31][cH:30]1

참가 물질

7

출처 및 근거

ORD 기록
ord-96dcbd2c05f442d5a0c6caf03f934c61
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…