Acetonitrile → 4-[3-(2,2,2-Trifluoroethyl)thioureido]-2-[(2-phthalimidoethyl)thiomethyl]pyrimidine

HRID 114562

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 138837771,1,1-Trifluoro-2-isothiocyanatoethane

HCID 212988184-Amino-2-[(2-phthalimidoethyl)thiomethyl)pyrimidine

생성물 1

HCID 538482754-[3-(2,2,2-Trifluoroethyl)thioureido]-2-[(2-phthalimidoethyl)thiomethyl]pyrimidine

출처 및 근거

ORD 기록: ord-6af0c732ba0a4a85a82b334671dcc2e8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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