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9,12-Octadecadienoic Acid → HCID 178442951, 화합물

HRID 198404
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HRID 198404 반응식
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]=[CH:7][CH2:8][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:18]([OH:19])=[O:20].[CH:84]([N:85]([CH2:86][CH3:87])[CH:88]([CH3:89])[CH3:90])([CH3:91])[CH3:92].[NH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[N:29]1[CH:30]([C:35]([O:36][CH2:37][c:38]2[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]2)([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][c:55]([O:58][CH3:59])[cH:56][cH:57]2)[CH2:31][CH:32]([OH:34])[CH2:33]1.[P-:60]([F:61])([F:62])([F:63])([F:64])([F:65])[F:66].[n:67]1([O:68][C:69]([N:70]([CH3:71])[CH3:72])=[N+:73]([CH3:74])[CH3:75])[c:76]2[cH:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]=[CH:7][CH2:8][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:18](=[O:20])[NH:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[N:29]1[CH:30]([C:35]([O:36][CH2:37][c:38]2[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]2)([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][c:55]([O:58][CH3:59])[cH:56][cH:57]2)[CH2:31][CH:32]([OH:34])[CH2:33]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 39319,12-Octadecadienoic AcidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 686383816-Amino-1-[4-hydroxy-2-[(4-methoxyphenyl)-[(4-methoxyphenyl)methoxy]-phenylmethyl]pyrrolidin-1-yl]hexan-1-one

생성물 1

HCID 178442951
HCID 178442951, 화합물

출처 및 근거

ORD 기록
ord-e53f33d343ed49f88c426076fe8f625d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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