Benzene → N-(2-trifluoromethyl-1,3,4-thiadiazol-5-yl)-N'-(1,3-dioxolan-2-ylmethyl)-N'-methylurea

반응식

[F:1][C:2]([c:3]1[s:4][c:5]([N:8]=[C:9]=[O:10])[n:6][n:7]1)([F:11])[F:12].[O:13]1[CH:14]([CH2:18][NH:19][CH3:20])[O:15][CH2:16][CH2:17]1.[cH:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[F:1][C:2]([c:3]1[s:4][c:5]([NH:8][C:9](=[O:10])[N:19]([CH2:18][CH:14]2[O:13][CH2:17][CH2:16][O:15]2)[CH3:20])[n:6][n:7]1)([F:11])[F:12]

참가 물질

반응물 3

HCID 241Benzene

HCID 5417541,3-Dioxolane-2-methanamine, N-methyl-

HCID 131418952-Isocyanato-5-(trifluoromethyl)-1,3,4-thiadiazole

생성물 1

HCID 21544990N-(2-trifluoromethyl-1,3,4-thiadiazol-5-yl)-N'-(1,3-dioxolan-2-ylmethyl)-N'-methylurea

출처 및 근거

ORD 기록: ord-4b64094cdce9495dba496c0c038c6e8a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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