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Potassium Cation → HCID 22995793, 화합물

HRID 1226147
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HRID 1226147 반응식
[C:56](=[O:57])([O-:58])[O-:59].[CH2:10]1[O:11][C:12](=[O:20])[CH2:13][N:14]2[CH:15]1[CH2:16][NH:17][CH2:18][CH2:19]2.[CH3:64][C:65]#[N:66].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[Cl:28][c:29]1[cH:30][c:31]([NH:36][c:37]2[n:38][cH:39][n:40][c:41]3[cH:42][c:43]([O:52][CH2:53][CH2:54][Br:55])[c:44]([O:47][CH2:48][CH:49]4[CH2:50][CH2:51]4)[cH:45][c:46]23)[cH:32][cH:33][c:34]1[F:35].[I-:63].[K+:60].[K+:61].[Na+:62].[OH:21][C:22]([C:23]([F:24])([F:25])[F:26])=[O:27]>>[CH2:10]1[O:11][C:12](=[O:20])[CH2:13][N:14]2[CH:15]1[CH2:16][N:17]([CH2:54][CH2:53][O:52][c:43]1[cH:42][c:41]3[n:40][cH:39][n:38][c:37]([NH:36][c:31]4[cH:30][c:29]([Cl:28])[c:34]([F:35])[cH:33][cH:32]4)[c:46]3[cH:45][c:44]1[O:47][CH2:48][CH:49]1[CH2:50][CH2:51]1)[CH2:18][CH2:19]2
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 813Potassium Cation2회HCID 923Sodium IonHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 30165Iodide IonHCID 81531Diisopropylethylamine
HCID 18762784
HCID 18762784, 화합물
HCID 22989513Hexahydropyrazino[2,1-c][1,4]oxazin-3(4H)-one

생성물 1

HCID 22995793HCID 22995793, 화합물

출처 및 근거

ORD 기록
ord-81848ea07d494441b0661b25ced443fd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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