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Hydrochloric Acid → HCID 24772730, 화합물

HRID 2133784
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HRID 2133784 반응식
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][n:6][n:7]2[c:8]1[n:9][cH:10][c:11](-[c:20]1[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]1)[c:12]2-[c:13]1[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]1.[C:28](#[N:29])[C:30]1([NH2:36])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[CH3:49][N:50]([CH3:51])[CH2:52][CH2:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH3:59].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[CH:65]([Cl:66])([Cl:67])[Cl:68].[ClH:27].[ClH:48].[Na+:60].[OH2:37].[OH2:81].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1.[OH:61][C:62](=[O:63])[O-:64]>>[C:1](=[O:2])([c:4]1[cH:5][n:6][n:7]2[c:8]1[n:9][cH:10][c:11](-[c:20]1[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]1)[c:12]2-[c:13]1[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]1)[NH:36][C:30]1([C:28]#[N:29])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 313Hydrochloric Acid2회HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962Water2회HCID 6212ChloroformHCID 6228DimethylformamideHCID 8471Triethylamine
HCID 15908
1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
HCID 757711-Hydroxybenzotriazole
HCID 796351-Aminocyclohexanecarbonitrile
HCID 67272265HCID 67272265, 화합물

생성물 1

HCID 24772730HCID 24772730, 화합물

출처 및 근거

ORD 기록
ord-2dc183798d0540d6958bf1f5925c0cef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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