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Water → 2'-(2-cyclopropylethynyl)-7'-(2-methoxy-2-methylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

HRID 1124359
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HRID 1124359 반응식
[C:26](=[O:27])([O-:28])[O-:29].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cs+:30].[Cs+:31].[I:37][CH2:38][C:39]([CH3:40])([CH3:41])[O:42][CH3:43].[NH2:1][C:2]1=[N:6][C:5]2([CH2:4][O:3]1)[c:7]1[cH:8][c:9]([OH:25])[cH:10][cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([C:20]#[C:21][CH:22]3[CH2:23][CH2:24]3)[cH:18][c:19]12.[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[OH2:44]>>[NH2:1][C:2]1=[N:6][C:5]2([CH2:4][O:3]1)[c:7]1[cH:8][c:9]([O:25][CH2:38][C:39]([CH3:40])([CH3:41])[O:42][CH3:43])[cH:10][cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([C:20]#[C:21][CH:22]3[CH2:23][CH2:24]3)[cH:18][c:19]12
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 189668321-Iodo-2-methoxy-2-methylpropaneHCID 672409602-amino-7'-(2-cyclopropylethynyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol

생성물 1

HCID 672418692'-(2-cyclopropylethynyl)-7'-(2-methoxy-2-methylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

출처 및 근거

ORD 기록
ord-1eee7a9827d04ef6ab097c8993bd47ce
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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