4-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine → N-tert-butyl-3-[2-(4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-benzenesulfonamide

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]3[cH:19][n:20][c:21]([S:24]([CH3:25])=[O:26])[n:22][n:23]23)[cH:12][cH:13][cH:14]1.[CH3:27][N:28]1[CH2:29][CH2:30][O:31][c:32]2[c:33]1[cH:34][c:35]([NH2:38])[cH:36][cH:37]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]3[cH:19][n:20][c:21]([NH:38][c:35]4[cH:34][c:33]5[c:32]([cH:37][cH:36]4)[O:31][CH2:30][CH2:29][N:28]5[CH3:27])[n:22][n:23]23)[cH:12][cH:13][cH:14]1

참가 물질

반응물 2

HCID 225984224-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine

HCID 66711063N-tert-Butyl-3-(2-methanesulfinyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-benzenesulfonamide

생성물 1

HCID 66710996N-tert-butyl-3-[2-(4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-benzenesulfonamide

출처 및 근거

ORD 기록: ord-4c5f5e55ec6946c5865fb32fabb74441
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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