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Hydrochloric Acid → HCID 178489434, 화합물

HRID 135603
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HRID 135603 반응식
[C:44](#[N:45])[CH2:46][CH:47]1[CH2:48][C:49]([OH:56])([c:57]2[c:58]([O:63][CH3:64])[cH:59][cH:60][cH:61][cH:62]2)[CH:50]2[CH2:51][NH:52][CH2:53][CH:54]2[CH2:55]1.[CH3:33][N:34]([CH3:35])[CH2:36][CH2:37][CH2:38][N:39]=[C:40]=[N:41][CH2:42][CH3:43].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[Cl:65][CH2:66][Cl:67].[ClH:32].[OH2:21].[OH:22][c:23]1[c:24]2[n:25][n:26][nH:27][c:28]2[cH:29][cH:30][cH:31]1.[c:10]1([CH:16]([C:17](=[O:18])[OH:19])[CH3:20])[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1([CH:16]([C:17](=[O:18])[N:52]2[CH2:51][CH:50]3[C:49]([OH:56])([c:57]4[c:58]([O:63][CH3:64])[cH:59][cH:60][cH:61][cH:62]4)[CH2:48][CH:47]([CH2:46][C:44]#[N:45])[CH2:55][CH:54]3[CH2:53]2)[CH3:20])[cH:11][cH:12][cH:13][cH:14][cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 102962-Phenylpropionic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 189315462-[7-Hydroxy-7-(2-methoxyphenyl)-1,2,3,3a,4,5,6,7a-octahydroisoindol-5-yl]acetonitrile
HCID 178418300HCID 178418300, 화합물

생성물 1

HCID 178489434HCID 178489434, 화합물

출처 및 근거

ORD 기록
ord-5bf5ec38accf410c971355e662fb2325
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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