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Potassium Cation → N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-ylamino)butyl]-1-benzothiophene-2-carboxamide

HRID 2321651
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HRID 2321651 반응식
[C:29]([CH2:30][P+:31]([CH3:32])([CH3:33])[CH3:34])#[N:35].[C:51](#[N:52])[CH2:53][CH3:54].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[I-:28].[K+:45].[K+:46].[O-:47][C:48]([O-:49])=[O:50].[OH2:55].[OH:11][CH2:12][CH2:13][CH2:14][CH2:15][NH:16][C:17](=[O:18])[c:19]1[s:20][c:21]2[c:22]([cH:23]1)[cH:24][cH:25][cH:26][cH:27]2.[s:1]1[cH:2][n:3][c:4]2[c:5]1[CH2:6][CH:7]([NH2:10])[CH2:8][CH2:9]2>>[s:1]1[cH:2][n:3][c:4]2[c:5]1[CH2:6][CH:7]([NH:10][CH2:12][CH2:13][CH2:14][CH2:15][NH:16][C:17](=[O:18])[c:19]1[s:20][c:21]3[c:22]([cH:23]1)[cH:24][cH:25][cH:26][cH:27]3)[CH2:8][CH2:9]2
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 813Potassium Cation2회HCID 962WaterHCID 7854PropionitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphanium
HCID 45121902
4,5,6,7-Tetrahydrobenzo[d]thiazol-6-amine
HCID 66937325N-(4-hydroxybutyl)-1-benzothiophene-2-carboxamide

생성물 1

HCID 66937391N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-ylamino)butyl]-1-benzothiophene-2-carboxamide

출처 및 근거

ORD 기록
ord-cb614b8af7c248ff8159e1b83cec3c67
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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