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Dichloromethane → 4'-Methyl-5-tetrazol-1-yl-biphenyl-3-carboxylic acid (1-methyl-2-morpholin-4-yl-ethyl)-amide

HRID 2145822
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HRID 2145822 반응식
[CH3:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][c:21]([C:30](=[O:31])[OH:32])[cH:22][c:23](-[n:25]3[n:26][n:27][n:28][cH:29]3)[cH:24]2)[cH:17][cH:18]1.[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[CH3:50][CH:51]([CH2:52][N:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1)[NH2:59].[Cl:60][CH2:61][Cl:62].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[CH3:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][c:21]([C:30](=[O:31])[NH:59][CH:51]([CH3:50])[CH2:52][N:53]3[CH2:54][CH2:55][O:56][CH2:57][CH2:58]3)[cH:22][c:23](-[n:25]3[n:26][n:27][n:28][cH:29]3)[cH:24]2)[cH:17][cH:18]1
참가 물질출처 및 근거반응 노트

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반응물 6

HCID 6344DichloromethaneHCID 13387N-methyl-2-pyrrolidoneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 1709514-Morpholineethanamine, alpha-methyl-HCID 578515114'-Methyl-5-tetrazol-1-yl-biphenyl-3-carboxylic acid

생성물 1

HCID 24889481
4'-Methyl-5-tetrazol-1-yl-biphenyl-3-carboxylic acid (1-methyl-2-morpholin-4-yl-ethyl)-amide

출처 및 근거

ORD 기록
ord-3ea6aa71cc7843bab6cf883520c568c3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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