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Diisopropylaniline → (+/-)-5-dodecyl-alpha-pentyl-N-(2,4,6-trimethoxyphenyl)-2H-tetrazole-2-acetamide

HRID 2150611
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반응식

HRID 2150611 반응식
[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:18]([C:19](=[O:20])[OH:21])[CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[n:17]1.[CH2:27]([c:28]1[n:29][n:30][n:31]([CH2:32][C:33]([OH:34])=[O:35])[n:36]1)[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:46][O:47][c:48]1[c:49]([NH2:50])[c:51]([O:57][CH3:58])[cH:52][c:53]([O:55][CH3:56])[cH:54]1.[CH:59]([c:60]1[cH:61][cH:62][cH:63][c:64]([CH:65]([CH3:66])[CH3:67])[c:68]1[NH2:69])([CH3:70])[CH3:71]>>[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:18]([C:19](=[O:21])[NH:50][c:49]2[c:48]([O:47][CH3:46])[cH:54][c:53]([O:55][CH3:56])[cH:52][c:51]2[O:57][CH3:58])[CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[n:17]1
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참가 물질

5

반응물 4

HCID 32484DiisopropylanilineHCID 842712,4,6-TrimethoxyanilineHCID 21469507(+/-)-5-dodecyl-alpha-pentyl-2H-tetrazole-2-acetic acidHCID 214695295-decyl-2H-tetrazole-2-acetic acid

생성물 1

HCID 21469530(+/-)-5-dodecyl-alpha-pentyl-N-(2,4,6-trimethoxyphenyl)-2H-tetrazole-2-acetamide

출처 및 근거

ORD 기록
ord-8f3c3fe407ac4bef97896e5797ad9d48
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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