Isopropanol → HCID 178509592, 화합물

HRID 317101

반응식

[CH3:27][CH:28]([OH:29])[CH3:30].[Cl:1][c:2]1[o:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[cH:5][n:6]1.[nH:15]1[n:16][n:17][n:18][c:19]1-[c:20]1[cH:21][c:22]([NH2:23])[cH:24][cH:25][cH:26]1>>[c:2]1([NH:23][c:22]2[cH:21][c:20](-[c:19]3[n:15][n:16][n:17][nH:18]3)[cH:26][cH:25][cH:24]2)[o:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[cH:5][n:6]1

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 684435584-(2-Chlorooxazol-5-yl)benzonitrile

HCID 178507542HCID 178507542, 화합물

생성물 1

HCID 178509592HCID 178509592, 화합물

출처 및 근거

ORD 기록: ord-89cdc5bfba434234aaf967c44ce3c3b9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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