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Cyclopentyl Isocyanate → 4-[2-Methyl-4-(6-morpholin-4-yl-pyrido[3,4-d]pyrimidin-4-ylamino)-phenoxy]-piperidine-1-carboxylic acid cyclopentylamide

HRID 1150183
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인쇄 미리보기

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HRID 1150183 반응식
[CH3:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[c:17]3[c:18]([n:19][cH:20][n:21]2)[cH:22][n:23][c:24]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[cH:25]3)[cH:5][cH:6][c:7]1[O:8][CH:9]1[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]1.[CH:32]1([N:37]=[C:38]=[O:39])[CH2:33][CH2:34][CH2:35][CH2:36]1.[F:40][c:41]1[cH:42][cH:43][cH:44][c:45]([F:46])[c:47]1[NH:48][C:49]([N:50]1[CH2:51][CH2:52][CH:53]([O:54][c:55]2[cH:56][cH:57][c:58]([NH:59][c:60]3[c:61]4[cH:62][c:63]([F:64])[n:65][cH:66][c:67]4[n:68][cH:69][n:70]3)[cH:71][c:72]2[CH3:73])[CH2:74][CH2:75]1)=[O:76]>>[CH3:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[c:17]3[c:18]([n:19][cH:20][n:21]2)[cH:22][n:23][c:24]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[cH:25]3)[cH:5][cH:6][c:7]1[O:8][CH:9]1[CH2:10][CH2:11][N:12]([C:38]([NH:37][CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36]2)=[O:39])[CH2:13][CH2:14]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 643500Cyclopentyl IsocyanateHCID 69057517[3-Methyl-4-(piperidin-4-yloxy)-phenyl]-(6-morpholin-4-yl-pyrido[3,4-d]pyrimidin-4-yl)-amineHCID 865952374-[4-(6-Fluoro-pyrido[3,4-d]pyrimidin-4-ylamino)-2-methyl-phenoxy]-piperidine-1-carboxylic acid (2,6-difluoro-phenyl)-amide

생성물 1

HCID 690576724-[2-Methyl-4-(6-morpholin-4-yl-pyrido[3,4-d]pyrimidin-4-ylamino)-phenoxy]-piperidine-1-carboxylic acid cyclopentylamide

출처 및 근거

ORD 기록
ord-5a3cc2c5593144aa833b31cf4e7482d1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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