Dichloromethane → 5-{3-[2-Ethyl-3-(4-piperidinyl)phenyl]-1,2,4-thiadiazol-5-yl}-2-(2-methylpropyl)benzonitrile

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 58494079HCID 58494079, 화합물

생성물 1

HCID 584940155-{3-[2-Ethyl-3-(4-piperidinyl)phenyl]-1,2,4-thiadiazol-5-yl}-2-(2-methylpropyl)benzonitrile

출처 및 근거

ORD 기록: ord-cfdf498935144f3cb56f3a414b83d9f1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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