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Toluene → 1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-chloro-3-(4-ethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one

HRID 1224577
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반응식

HRID 1224577 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][CH:9]([NH:12][c:13]2[n:14][c:15]([Cl:29])[n:16][cH:17][c:18]2[CH2:19][NH:20][c:21]2[cH:22][cH:23][c:24]([CH2:27][CH3:28])[cH:25][cH:26]2)[CH2:10][CH2:11]1)([CH3:30])[CH3:31].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:53][N:54]([CH3:55])[c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1.[Cl:39][C:40]([Cl:41])=[O:42].[Cl:50][CH2:51][Cl:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][CH:9]([N:12]2[c:13]3[n:14][c:15]([Cl:29])[n:16][cH:17][c:18]3[CH2:19][N:20]([c:21]3[cH:22][cH:23][c:24]([CH2:27][CH3:28])[cH:25][cH:26]3)[C:40]2=[O:42])[CH2:10][CH2:11]1)([CH3:30])[CH3:31]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 1140TolueneHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 21939307N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-chloro-5-[(4-ethylanilino)methyl]pyrimidin-4-amine

생성물 1

HCID 21939314
1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-chloro-3-(4-ethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one

출처 및 근거

ORD 기록
ord-7587c34fe86948c58c8055be88b7763b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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