3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole → 4-Chloro-1-{[5-(3,5-dimethyl-4-isoxazolyl)-1,2,4-oxadiazol-3-yl]methyl}-2-ethyl-1H-benzimidazole-5-carbonitrile

HRID 112018

반응식

HRID 112018 반응식
[Cl:15][CH2:16][c:17]1[n:18][o:19][c:20](-[c:22]2[c:23]([CH3:28])[n:24][o:25][c:26]2[CH3:27])[n:21]1.[Cl:1][c:2]1[c:3]([C:13]#[N:14])[cH:4][cH:5][c:6]2[nH:7][c:8]([CH2:11][CH3:12])[n:9][c:10]12>>[Cl:1][c:2]1[c:3]([C:13]#[N:14])[cH:4][cH:5][c:6]2[n:7]([CH2:16][c:17]3[n:18][o:19][c:20](-[c:22]4[c:23]([CH3:28])[n:24][o:25][c:26]4[CH3:27])[n:21]3)[c:8]([CH2:11][CH3:12])[n:9][c:10]12

참가 물질

3

반응물 2

HCID 27357603-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazoleHCID 674049024-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile

생성물 1

HCID 674043514-Chloro-1-{[5-(3,5-dimethyl-4-isoxazolyl)-1,2,4-oxadiazol-3-yl]methyl}-2-ethyl-1H-benzimidazole-5-carbonitrile

출처 및 근거

ORD 기록
ord-0e212deb2a10457cb25a414102db19e0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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