Tetradecanoic acid, 2-bromo-, ethyl ester → ethyl (+/-)-5-dodecyl-alpha-dodecyl-2H-tetrazole-2-acetate

HRID 124022

반응식

HRID 124022 반응식
[Br:52][c:53]1[cH:54][cH:55][cH:56][cH:57][c:58]1[CH2:59][C:60]([O:61][CH2:62][CH3:63])=[O:64].[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][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])[Br:50])=[O:51]>>[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:51])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])[n:17]1

참가 물질

5

출처 및 근거

ORD 기록
ord-6730120fc5424f458c8811d474470e67
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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