3-Bromomethyl-5-(5-chloro-thiophen-2-yl)-isoxazole → 3-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-6-(2,2,2-trifluoro-ethoxy)-3H-thieno[3,4-d]imidazole-4-carboxylic acid methyl ester

반응식

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

참가 물질

반응물 2

HCID 111501463-Bromomethyl-5-(5-chloro-thiophen-2-yl)-isoxazole

HCID 178499368HCID 178499368, 화합물

생성물 1

HCID 670122883-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-6-(2,2,2-trifluoro-ethoxy)-3H-thieno[3,4-d]imidazole-4-carboxylic acid methyl ester

출처 및 근거

ORD 기록: ord-7cc86f2ed9204a80a6c6a407189e5467
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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