Carbon Disulfide → 1-(2-furanylmethyl)-N-[1-(2-isothiocyanatoethyl)-4-piperidinyl]-1H-benzimidazol-2-amine

반응식

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

참가 물질

반응물 3

HCID 6348Carbon Disulfide

HCID 8028Tetrahydrofuran

HCID 13588039N-[1-(2-aminoethyl)-4-piperidinyl]-1-(2-furanylmethyl)-1H-benzimidazol-2-amine

생성물 1

HCID 148353051-(2-furanylmethyl)-N-[1-(2-isothiocyanatoethyl)-4-piperidinyl]-1H-benzimidazol-2-amine

출처 및 근거

ORD 기록: ord-545c6ee3942b4af5a5e47d79e7892260
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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