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Nitrogen → Ethyl 4-(4-fluoro-3-((3-(3-methylisoxazol-5-yl)ureido)methyl)benzyl)piperazine-1-carboxylate

HRID 191839
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HRID 191839 반응식
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:8]([N:9]([CH2:10][CH3:11])[CH:12]([CH3:13])[CH3:14])([CH3:15])[CH3:16].[Cl:19][C:20](=[O:21])[O:22][c:23]1[cH:24][cH:25][c:26]([N+:27]([O-:28])=[O:29])[cH:30][cH:31]1.[Cl:69][CH2:70][Cl:71].[N:17]#[N:18].[NH2:1][c:2]1[cH:3][c:4]([CH3:7])[n:5][o:6]1.[NH2:32][CH2:33][c:34]1[cH:35][c:36]([CH2:37][N:38]2[CH2:39][CH2:40][N:41]([C:44](=[O:45])[O:46][CH2:47][CH3:48])[CH2:42][CH2:43]2)[cH:49][cH:50][c:51]1[F:52]>>[NH:1]([c:2]1[cH:3][c:4]([CH3:7])[n:5][o:6]1)[C:20](=[O:21])[NH:32][CH2:33][c:34]1[cH:35][c:36]([CH2:37][N:38]2[CH2:39][CH2:40][N:41]([C:44](=[O:45])[O:46][CH2:47][CH3:48])[CH2:42][CH2:43]2)[cH:49][cH:50][c:51]1[F:52]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 947NitrogenHCID 6344DichloromethaneHCID 8028Tetrahydrofuran2회HCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 821294-Nitrophenyl chloroformateHCID 845905-Amino-3-methylisoxazole
HCID 24859219
Ethyl 4-(3-(aminomethyl)-4-fluorobenzyl)piperazine-1-carboxylate

생성물 1

HCID 23661358Ethyl 4-(4-fluoro-3-((3-(3-methylisoxazol-5-yl)ureido)methyl)benzyl)piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-533e5cd7d6bd4408b3f9c3537e9cf3d2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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