Ethyl 2-bromoheptanoate → ethyl(+/-)-5-dodecyl-alpha-pentyl-2H-tetrazole-2-acetate

HRID 1128356

반응식

HRID 1128356 반응식
[Br:45][c:46]1[cH:47][cH:48][cH:49][cH:50][c:51]1[CH2:52][C:53]([O:54][CH2:55][CH3:56])=[O:57].[CH2:18]([c:19]1[nH:20][n:21][n:22][n:23]1)[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[c:13]1[n:14][n:15][n:16][nH:17]1.[CH2:33]([CH3:34])[O:35][C:36]([CH:37]([CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[Br:43])=[O:44]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[c:13]1[n:14][n:15]([CH:37]([C:36]([O:35][CH2:33][CH3:34])=[O:44])[CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[n:16][n:17]1

참가 물질

5

출처 및 근거

ORD 기록
ord-9bc88f0a2cdb4ead9d5c287b15e63bdb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

불러오는 중…