Acetonitrile → 1-[4-[3-(4-Fluorophenyl)propyl-methylamino]-3-hydroxybutan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea

반응식

[CH3:19][n:20]1[n:21][n:22][n:23][c:24]1-[c:25]1[cH:26][c:27]([NH:31][C:32]([O:33][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:34])[cH:28][cH:29][cH:30]1.[CH3:41][C:42]#[N:43].[NH2:1][CH:2]([CH:3]([CH2:4][N:5]([CH3:6])[CH2:7][CH2:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]1)[OH:17])[CH3:18]>>[NH:1]([CH:2]([CH:3]([CH2:4][N:5]([CH3:6])[CH2:7][CH2:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]1)[OH:17])[CH3:18])[C:32]([NH:31][c:27]1[cH:26][c:25](-[c:24]2[n:20]([CH3:19])[n:21][n:22][n:23]2)[cH:30][cH:29][cH:28]1)=[O:33]

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 22252681phenyl 3-(1-methyl-1H-tetraazol-5-yl)phenylcarbamate

HCID 178465202HCID 178465202, 화합물

생성물 1

HCID 776189761-[4-[3-(4-Fluorophenyl)propyl-methylamino]-3-hydroxybutan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea

출처 및 근거

ORD 기록: ord-e0264844eea54b089c7456c84ff404a8
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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