Tetrahydrofuran → Ethyl 4-[[[[4-[(2-furanylmethyl)amino]-5-pyrimidinyl]amino]thioxomethyl]-amino]-1-piperidinecarboxylate

반응식

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

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 3018454Ethyl 4-isothiocyanatopiperidine-1-carboxylate

HCID 70462932N4-(2-furanylmethyl)-4,5-pyrimidinediamine

생성물 1

HCID 19785223Ethyl 4-[[[[4-[(2-furanylmethyl)amino]-5-pyrimidinyl]amino]thioxomethyl]-amino]-1-piperidinecarboxylate

출처 및 근거

ORD 기록: ord-ae20c7c3e8ee4ccab44108cb395ebf4d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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