Acetonitrile → Methyl 2-(8-chloro-3-oxo-1,3a-dihydrochromeno[2,3-c]pyrrol-2-yl)-3-cyclohexylpropanoate

반응식

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

참가 물질

반응물 2

HCID 6342Acetonitrile

HCID 178470534HCID 178470534, 화합물

생성물 1

HCID 67520936Methyl 2-(8-chloro-3-oxo-1,3a-dihydrochromeno[2,3-c]pyrrol-2-yl)-3-cyclohexylpropanoate

출처 및 근거

ORD 기록: ord-bcce957ea4b2401287fe22b7fd53bd65
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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