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Dichloromethane → Benzyl 3-(5-cyano-4-(2,6-difluorophenyl)-N-isopropyl-1H-1,2,3-triazole-1-carboxamido)benzoate

HRID 282467
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HRID 282467 반응식
[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:18][cH:19][cH:20]1.[Cl:28][C:29]([Cl:30])([O:31][C:32]([O:33][C:34]([Cl:35])([Cl:36])[Cl:37])=[O:38])[Cl:39].[Cl:55][CH2:56][Cl:57].[F:40][c:41]1[c:42](-[c:48]2[n:49][n:50][nH:51][c:52]2[C:53]#[N:54])[c:43]([F:47])[cH:44][cH:45][cH:46]1>>[CH:1]([CH3:2])([CH3:3])[N:4]([c:5]1[cH:6][c:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:18][cH:19][cH:20]1)[C:32](=[O:38])[n:51]1[n:50][n:49][c:48](-[c:42]2[c:41]([F:40])[cH:46][cH:45][cH:44][c:43]2[F:47])[c:52]1[C:53]#[N:54]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 94429TriphosgeneHCID 58501909Benzyl 3-(isopropylamino)benzoateHCID 1785106704-(2,6-difluorophenyl)-1H-1,2,3-triazole-5-carbonitrile

생성물 1

HCID 58501889Benzyl 3-(5-cyano-4-(2,6-difluorophenyl)-N-isopropyl-1H-1,2,3-triazole-1-carboxamido)benzoate

출처 및 근거

ORD 기록
ord-2164fc2810794af88fdf6a9bba3505d3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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