Potassium Cation → HCID 73017114, 화합물

HRID 2317690

반응식

HRID 2317690 반응식
[C:45](=[O:46])([O-:47])[O-:48].[CH3:53][OH:54].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[s:12][c:13]([S:16][C:17]#[N:18])[cH:14][n:15]2)[c:19]2[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:37][CH2:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:55][CH2:56][Cl:57].[I-:52].[K+:49].[K+:50].[K+:51].[OH2:58].[SH:29][CH2:30][CH:31]([CH:32]([CH2:33][SH:34])[OH:35])[OH:36]>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[s:12][c:13]([S:16][CH2:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44])[cH:14][n:15]2)[c:19]2[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

참가 물질

10

반응물 9

HCID 813Potassium Cation3회HCID 887MethanolHCID 962WaterHCID 6344DichloromethaneHCID 13364Diethylaminoethyl chlorideHCID 190011,4-Dimercapto-2,3-butanediolHCID 19660Carbonate IonHCID 30165Iodide IonHCID 73063196[2-[[3-Cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazol-5-yl] thiocyanate

생성물 1

HCID 73017114HCID 73017114, 화합물

출처 및 근거

ORD 기록
ord-e17a193c4b9c4ee9a654f7a010e54803
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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