Phenethyl isocyanate → Methyl 3-[3-butoxy-4-[3-[methyl(2-phenylethylcarbamoyl)amino]phenyl]phenyl]-2-ethoxyprop-2-enoate

HRID 305290

반응식

HRID 305290 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[c:7](-[c:21]2[cH:22][c:23]([NH:27][CH3:28])[cH:24][cH:25][cH:26]2)[cH:8][cH:9][c:10]([CH:12]=[C:13]([C:14](=[O:15])[O:16][CH3:17])[O:18][CH2:19][CH3:20])[cH:11]1.[CH2:29]([CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[N:37]=[C:38]=[O:39]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[c:7](-[c:21]2[cH:22][c:23]([N:27]([CH3:28])[C:38]([NH:37][CH2:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)=[O:39])[cH:24][cH:25][cH:26]2)[cH:8][cH:9][c:10]([CH:12]=[C:13]([C:14](=[O:15])[O:16][CH3:17])[O:18][CH2:19][CH3:20])[cH:11]1

참가 물질

3

반응물 2

HCID 160602Phenethyl isocyanateHCID 91162188Methyl 3-[3-butoxy-4-[3-(methylamino)phenyl]phenyl]-2-ethoxyprop-2-enoate

생성물 1

HCID 91472964Methyl 3-[3-butoxy-4-[3-[methyl(2-phenylethylcarbamoyl)amino]phenyl]phenyl]-2-ethoxyprop-2-enoate

출처 및 근거

ORD 기록
ord-1bb9f3b39ef74a01a3bc5f90ecadc47c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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