Ethyl 2-bromoisovalerate → ethyl (+/-)-5-dodecyl-alpha-(1-methylethyl)-2H-tetrazole-2-acetate

HRID 147847

반응식

HRID 147847 반응식
[Br:43][c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[CH2:50][C:51]([O:52][CH2:53][CH3:54])=[O:55].[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]([CH:38]([CH3:39])[CH3:40])[Br:41])=[O:42]>>[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]([CH:37]([C:36]([O:35][CH2:33][CH3:34])=[O:42])[CH:38]([CH3:39])[CH3:40])[n:17]1

참가 물질

5

출처 및 근거

ORD 기록
ord-ec594c5f327b4e64bb3619a745b8d2f1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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