Carbamate → HCID 178502110, 화합물

HRID 119229

반응식

HRID 119229 반응식
[CH3:1][O:2][C:3](=[O:4])[N:5]1[CH2:6][CH:7]([c:22]2[nH:23][cH:24][c:25](-[c:27]3[cH:28][cH:29][c:30]([C:33]#[C:34][c:35]4[cH:36][cH:37][c:38](-[c:41]5[nH:42][c:43]([CH:46]6[N:47]([C:51]([CH:52]([CH:53]([CH3:54])[CH3:55])[NH:56][C:57](=[O:58])[O:59][CH3:60])=[O:61])[CH2:48][CH2:49][CH2:50]6)[n:44][cH:45]5)[cH:39][cH:40]4)[cH:31][cH:32]3)[n:26]2)[N:8]([C:11]([CH:12]([CH:13]([CH3:14])[CH3:15])[NH:16][C:17](=[O:18])[O:19][CH3:20])=[O:21])[CH2:9][CH2:10]1.[CH3:62][CH:63]([CH:64]([C:65](=[O:66])[OH:67])[NH2:68])[CH3:69].[CH3:74][CH:75]([C:76](=[O:77])[OH:78])[NH2:79].[NH2:70][C:71](=[O:72])[O-:73]>>[CH3:1][O:2][C:3](=[O:4])[N:5]1[CH2:6][CH:7]([c:22]2[nH:23][cH:24][c:25](-[c:27]3[cH:28][cH:29][c:30]([C:33]#[C:34][c:35]4[cH:36][cH:37][c:38](-[c:41]5[nH:42][c:43]([CH:46]6[N:47]([C:51]([CH:52]([CH:53]([CH3:54])[CH3:55])[NH:56][C:57](=[O:58])[O:59][CH3:60])=[O:61])[CH2:48][CH2:49][CH2:50]6)[n:44][cH:45]5)[cH:39][cH:40]4)[cH:31][cH:32]3)[n:26]2)[N:8]([C:11]([CH:12]([CH3:13])[NH:16][C:17](=[O:18])[O:19][CH3:20])=[O:21])[CH2:9][CH2:10]1

참가 물질

5

출처 및 근거

ORD 기록
ord-dad9355a27334916b4477a0d0bdcbfad
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…