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Acetic Acid → HCID 178494229, 화합물

HRID 288316
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HRID 288316 반응식
[C:54]([O:55][BH-:56]([O:57][C:58](=[O:59])[CH3:60])[O:61][C:62](=[O:63])[CH3:64])(=[O:65])[CH3:66].[CH3:50][C:51](=[O:52])[OH:53].[CH3:68][OH:69].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH3:8][O:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[s:16][c:17]([NH:19][C:20](=[O:21])[N:22]1[CH2:23][CH:24]([NH2:27])[CH2:25][CH2:26]1)[n:18]2.[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[F:37][c:38]1[c:39]([C:46]([F:47])([F:48])[F:49])[cH:40][c:41]([CH:42]=[O:43])[cH:44][cH:45]1.[Na+:67].[OH2:70].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[CH3:8][O:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[s:16][c:17]([NH:19][C:20](=[O:21])[N:22]1[CH2:23][CH:24]([NH:27][CH2:42][c:41]3[cH:40][c:39]([C:46]([F:47])([F:48])[F:49])[c:38]([F:37])[cH:45][cH:44]3)[CH2:25][CH2:26]1)[n:18]2
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 962WaterHCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 5222694-Fluoro-3-(trifluoromethyl)benzaldehyde
HCID 2724942Triacetoxyborohydride
HCID 724893723-Amino-pyrrolidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide

생성물 1

HCID 178494229HCID 178494229, 화합물

출처 및 근거

ORD 기록
ord-e3e93b0dde6942939d2222f4a5f9c047
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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