Carbamate → 5-(3,5-Dichlorophenylthio)-1-ethyl-4-isopropyl-1H-imidazol-2-ylmethyl palmitoylcarbamate

HRID 665818

반응식

HRID 665818 반응식
[C:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])(=[O:42])[N:43]=[C:44]=[O:45].[NH2:22][C:23](=[O:24])[O-:25].[OH:1][CH2:2][c:3]1[n:4]([CH2:20][CH3:21])[c:5]([S:11][c:12]2[cH:13][c:14]([Cl:19])[cH:15][c:16]([Cl:18])[cH:17]2)[c:6]([CH:8]([CH3:9])[CH3:10])[n:7]1>>[O:1]([CH2:2][c:3]1[n:4]([CH2:20][CH3:21])[c:5]([S:11][c:12]2[cH:13][c:14]([Cl:19])[cH:15][c:16]([Cl:18])[cH:17]2)[c:6]([CH:8]([CH3:9])[CH3:10])[n:7]1)[C:44]([NH:43][C:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])=[O:42])=[O:45]

참가 물질

4

반응물 3

HCID 276CarbamateHCID 473933(5-(3,5-Dichlorophenylthio)-1-ethyl-4-isopropyl-1H-imidazol-2-yl)methanolHCID 18792000Palmitoyl isocyanate

생성물 1

HCID 696864805-(3,5-Dichlorophenylthio)-1-ethyl-4-isopropyl-1H-imidazol-2-ylmethyl palmitoylcarbamate

출처 및 근거

ORD 기록
ord-ecc71bb4e6404079b08ddd7f8d08ddd4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

불러오는 중…