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Acetic Acid → HCID 66899732, 화합물

HRID 1572026
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HRID 1572026 반응식
[CH3:58][C:59](=[O:60])[OH:61].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[n:12][n:13]([CH2:16][C:17]([CH3:18])([CH3:19])[OH:20])[cH:14][cH:15]2)[N:21]2[C:22](=[O:28])[CH:23]=[C:24]([O:26][CH3:27])[CH2:25]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl-:56].[ClH:29].[Cs+:57].[OH2:38].[OH2:50].[OH2:51].[OH2:52].[OH2:53].[OH2:54].[OH2:55].[OH:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([OH:45])(=[O:46])=[O:47])[cH:48][cH:49]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[n:12][n:13]([CH2:16][C:17]([CH3:18])([CH3:19])[OH:20])[cH:14][cH:15]2)[N:21]2[C:22](=[O:28])[CH:23]=[C:24]([O:26][CH2:27][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:25]2)[CH2:2][CH2:3][CH2:4][CH2:5]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 244Benzyl AlcoholHCID 312ChlorideHCID 313Hydrochloric AcidHCID 962Water7회HCID 6101p-Toluenesulfonic acidHCID 104967Cesium cationHCID 66899805
HCID 66899805, 화합물

생성물 1

HCID 66899732HCID 66899732, 화합물

출처 및 근거

ORD 기록
ord-07f22bbb6ca74f42a70fc4f250dad1ca
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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