Dimethyl Sulfoxide → 2-((Benzylamino)methyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-e]indol-8(9H)-one

反応式

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

参加物

反応物 3

HCID 679Dimethyl Sulfoxide

HCID 7504Benzylamine

HCID 15381105(8-Oxo-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-2-yl)methyl 4-methylbenzenesulfonate

生成物 1

HCID 99103252-((Benzylamino)methyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-e]indol-8(9H)-one

出典と根拠

ORDレコード: ord-0cc67381c8854c5b8dd4bf884d7ae511
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…