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2-Butenedioic acid → 4-Phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid {4-[propyl-(4,5,6,7-tetrahydrobenzothiazol-6-yl)amino]butyl}amide

HRID 113214
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HRID 113214 반응식
[C:47](#[N:48])[CH3:49].[CH2:21]([CH2:22][CH3:23])[NH:24][CH:25]1[CH2:26][c:27]2[c:28]([n:29][cH:30][s:31]2)[CH2:32][CH2:33]1.[CH2:42]([O:43][CH2:44][CH3:45])[CH3:46].[O:1]=[CH:2][CH2:3][CH2:4][CH2:5][NH:6][C:7](=[O:8])[N:9]1[CH2:10][CH2:11][C:12]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[CH:13][CH2:14]1.[OH:34][C:35]([CH:36]=[CH:37][C:38](=[O:39])[OH:40])=[O:41]>>[CH2:2]([CH2:3][CH2:4][CH2:5][NH:6][C:7](=[O:8])[N:9]1[CH2:10][CH2:11][C:12]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[CH:13][CH2:14]1)[N:24]([CH2:21][CH2:22][CH3:23])[CH:25]1[CH2:26][c:27]2[c:28]([n:29][cH:30][s:31]2)[CH2:32][CH2:33]1
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반응물 5

HCID 7232-Butenedioic acidHCID 3283Diethyl EtherHCID 6342AcetonitrileHCID 18705889Propyl-(4,5,6,7-tetrahydro-benzothiazol-6-yl)-amineHCID 866513104-Phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (4-oxobutyl)amide

생성물 1

HCID 66937481
4-Phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid {4-[propyl-(4,5,6,7-tetrahydrobenzothiazol-6-yl)amino]butyl}amide

출처 및 근거

ORD 기록
ord-b0cec32fa07e47e1b895bd4efcc17b5c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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