Tetrahydrofuran → 1-[1-(2-dimethylamino-ethyl)-1H-indazol-5-yl]-3-(4-phenoxy-phenyl)-urea

반응식

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

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 27348964-Phenoxyphenyl isocyanate

HCID 696529021-(2-dimethylamino-ethyl)-1H-indazol-5-ylamine

생성물 1

HCID 112008411-[1-(2-dimethylamino-ethyl)-1H-indazol-5-yl]-3-(4-phenoxy-phenyl)-urea

출처 및 근거

ORD 기록: ord-219afb756fa34dd1923c2fd773489dbb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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