Tetrahydrofuran → 3-Bromo-N-[1-cyano-1-methyl-2-(4,6,7-trichloro-2H-indazol-2-yl)ethyl]benzamide

반응식

[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[Cl:7])[cH:8][cH:9][cH:10]1.[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[NH2:11][C:12]([C:13]#[N:14])([CH2:15][n:16]1[n:17][c:18]2[c:19]([Cl:27])[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[c:23]2[cH:24]1)[CH3:28]>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:11][C:12]([C:13]#[N:14])([CH2:15][n:16]2[n:17][c:18]3[c:19]([Cl:27])[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[c:23]3[cH:24]2)[CH3:28])[cH:8][cH:9][cH:10]1

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 74377Benzoyl chloride, 3-bromo-

HCID 666208912-Amino-2-methyl-3-(4,6,7-trichloro-2H-indazol-2-yl)propionitrile

생성물 1

HCID 687102423-Bromo-N-[1-cyano-1-methyl-2-(4,6,7-trichloro-2H-indazol-2-yl)ethyl]benzamide

출처 및 근거

ORD 기록: ord-d1a9137e6cd646e3bc765272c5317bb6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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