Dimethylformamide → 6-(1-methyl-1H-pyrazol-4-yl)-2-(3-(piperidin-1-yl)azetidin-1-yl)benzo[d]thiazole

반응식

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

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 8082Piperidine

HCID 866319061-(6-(1-methyl-1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)azetidin-3-yl 4-nitrobenzenesulfonate

생성물 1

HCID 441240126-(1-methyl-1H-pyrazol-4-yl)-2-(3-(piperidin-1-yl)azetidin-1-yl)benzo[d]thiazole

출처 및 근거

ORD 기록: ord-f06e60c010f74e41953eb166c908b77c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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