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1-Butanol → tert-Butyl 4-(6-((6-(1-Butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido(2,3-d)pyrimidin-2-yl)amino)-pyridin-3-yl)-piperazine-1-carboxylate

HRID 102316
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HRID 102316 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][n:16][c:17]([NH:20][c:21]3[n:22][cH:23][c:24]4[c:25]([n:26]3)[n:27]([CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42]3)[c:28](=[O:37])[c:29]([C:32](=[CH2:33])[O:34][CH2:35][CH3:36])[c:30]4[CH3:31])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH2:59]([OH:60])[CH2:61][CH2:62][CH3:63].[CH:43](=[CH2:44])[O:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH2:55][CH3:56])([CH3:57])[CH3:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][n:16][c:17]([NH:20][c:21]3[n:22][cH:23][c:24]4[c:25]([n:26]3)[n:27]([CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42]3)[c:28](=[O:37])[c:29]([C:32](=[CH2:33])[O:34][CH2:35][CH2:36][CH2:43][CH3:44])[c:30]4[CH3:31])[cH:18][cH:19]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 2631-ButanolHCID 8108Butyl vinyl etherHCID 81531DiisopropylethylamineHCID 112731704-{6-[8-Cyclopentyl-6-(1-ethoxy-vinyl)-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl}-piperazine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 44248250tert-Butyl 4-(6-((6-(1-Butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido(2,3-d)pyrimidin-2-yl)amino)-pyridin-3-yl)-piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-44cb0ccfc2794e35886824605af3d449
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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