Acetonitrile → (E)-benzyl 2-(4-((1-oxo-1,3-dihydroisobenzofuran-4-ylimino)methyl)phenyl)pyrrolidine-1-carboxylate

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 122846494-Amino-1,3-dihydro-2-benzofuran-1-one

HCID 86639042Benzyl 2-(4-formylphenyl)pyrrolidine-1-carboxylate

생성물 1

HCID 86639043(E)-benzyl 2-(4-((1-oxo-1,3-dihydroisobenzofuran-4-ylimino)methyl)phenyl)pyrrolidine-1-carboxylate

출처 및 근거

ORD 기록: ord-99145d13671d4743b1ae4568eb103f7d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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