Acetonitrile → HCID 178427405, 화합물

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[Br:9][c:10]1[cH:11][c:12]([NH:29][C:30](=[O:31])[c:32]2[n:33][c:34]([CH2:37][Cl:38])[s:35][cH:36]2)[c:13]2[cH:14][n:15][n:16]([S:19](=[O:20])(=[O:21])[c:22]3[cH:23][cH:24][c:25]([CH3:28])[cH:26][cH:27]3)[c:17]2[cH:18]1.[CH3:1][CH:2]1[O:3][CH:4]([CH3:8])[CH2:5][NH:6][CH2:7]1.[CH3:39][C:40]#[N:41]>>[CH3:1][CH:2]1[O:3][CH:4]([CH3:8])[CH2:5][N:6]([CH2:37][c:34]2[n:33][c:32]([C:30]([NH:29][c:12]3[cH:11][c:10]([Br:9])[cH:18][c:17]4[c:13]3[cH:14][n:15][n:16]4[S:19](=[O:20])(=[O:21])[c:22]3[cH:23][cH:24][c:25]([CH3:28])[cH:26][cH:27]3)=[O:31])[cH:36][s:35]2)[CH2:7]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 1108622,6-Dimethylmorpholine

HCID 58255773N-{6-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-indazol-4-yl}-2-(chloromethyl)-1,3-thiazole-4-carboxamide

생성물 1

HCID 178427405HCID 178427405, 화합물

출처 및 근거

ORD 기록: ord-84f262c15b834d4cb749be37c76ea302
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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