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Formaldehyde → 2-Cyano-4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxylic acid benzylamide

HRID 1142138
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반응식

HRID 1142138 반응식
[C:40]([BH3-:41])#[N:42].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9](=[O:10])[c:11]1[c:12]([O:29][CH2:30][CH2:31][CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[n:13][c:14]([C:27]#[N:28])[n:15][c:16]1[NH:17][CH2:18][CH:19]1[CH2:20][CH2:21][C:22]2([CH2:23][CH2:24]2)[CH2:25][CH2:26]1.[CH2:38]=[O:39].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[Na+:43]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9](=[O:10])[c:11]1[c:12]([O:29][CH2:30][CH2:31][CH:32]2[CH2:33][CH2:34][N:35]([CH3:40])[CH2:36][CH2:37]2)[n:13][c:14]([C:27]#[N:28])[n:15][c:16]1[NH:17][CH2:18][CH:19]1[CH2:20][CH2:21][C:22]2([CH2:23][CH2:24]2)[CH2:25][CH2:26]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 712FormaldehydeHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 498716Cyano-borohydrideHCID 68708606HCID 68708606, 화합물

생성물 1

HCID 445873662-Cyano-4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxylic acid benzylamide

출처 및 근거

ORD 기록
ord-bbced70d1bb24099956eda0d012dbd28
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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