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Phosphonic acid → Tert-butyl 2-(2-((1-(cyclopropylmethyl)-piperidine-4-yl)(methyl)amino)-2-oxoethoxy)-4,6-dimethylpyrimidine-5-ylcarbamate

HRID 114127
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HRID 114127 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([CH3:21])[n:11][c:12]([O:16][CH2:17][C:18](=[O:19])[OH:20])[n:13][c:14]1[CH3:15].[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:51][CH2:52][CH3:53].[CH3:54][C:55]#[N:56].[CH:22]1([CH2:25][N:26]2[CH2:27][CH2:28][CH:29]([NH:32][CH3:33])[CH2:30][CH2:31]2)[CH2:23][CH2:24]1.[PH:47]([OH:48])([OH:49])=[O:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([CH3:21])[n:11][c:12]([O:16][CH2:17][C:18](=[O:20])[N:32]([CH:29]2[CH2:28][CH2:27][N:26]([CH2:25][CH:22]3[CH2:23][CH2:24]3)[CH2:31][CH2:30]2)[CH3:33])[n:13][c:14]1[CH3:15]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 407Phosphonic acidHCID 6334PropaneHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 433149081-(cyclopropylmethyl)-N-methylpiperidine-4-amineHCID 593361682-(5-(Tert-butoxycarbonylamino)-4,6-dimethylpyrimidine-2-yloxy)acetic acid

생성물 1

HCID 59336181Tert-butyl 2-(2-((1-(cyclopropylmethyl)-piperidine-4-yl)(methyl)amino)-2-oxoethoxy)-4,6-dimethylpyrimidine-5-ylcarbamate

출처 및 근거

ORD 기록
ord-3b13801fe4a14ccfb08ee2bd19cbe6ed
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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