Acetonitrile → (2,2-Diphenylbenzo[d][1,3]dioxol-5-yl)(morpholino)methanone

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 8083Morpholine

HCID 115901781H-benzotriazol-1-yl 2,2-diphenyl-1,3-benzodioxol-5-carboxylate

생성물 1

HCID 10452791(2,2-Diphenylbenzo[d][1,3]dioxol-5-yl)(morpholino)methanone

출처 및 근거

ORD 기록: ord-a7c55b6c49a4418b9ac02ae3209d9d1a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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