Benzene → HCID 178475746, 화합물

HRID 134415

반응식

HRID 134415 반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:7][c:8]2[cH:9][n:10][cH:11][c:12]([I:14])[cH:13]2)[S:15][CH2:16][CH:17]([O:23][C:24]([CH3:25])=[O:26])[CH:18]1[O:19][C:20]([CH3:21])=[O:22].[CH3:27][S:28]([CH3:29])=[O:30].[CH3:40][NH:41][CH2:42][CH2:43][NH:44][CH3:45].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cu+2:54].[F:46][C:47]([F:48])([F:49])[S:50]([O-:51])(=[O:52])=[O:53].[F:61][C:62]([F:63])([F:64])[S:65]([O-:66])(=[O:67])=[O:68].[OH2:75].[c:31]1([S:37](=[O:38])[O-:39])[cH:32][cH:33][cH:34][cH:35][cH:36]1.[cH:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:7][c:8]2[cH:9][n:10][cH:11][c:12]([S:37]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)(=[O:38])=[O:39])[cH:13]2)[S:15][CH2:16][CH:17]([O:23][C:24]([CH3:25])=[O:26])[CH:18]1[O:19][C:20]([CH3:21])=[O:22]

참가 물질

10

출처 및 근거

ORD 기록
ord-1b3b73f8660f4542ae3fc3013041d5c1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…