Hydrochloric Acid → trans-2-Benzo[d] isoxazol-3-yl-N-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-acetamide

HRID 173611

반응식

HRID 173611 반응식
[ClH:1].[ClH:2].[ClH:3].[O:4]1[CH2:5][CH2:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH2:27])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]21.[o:28]1[n:29][c:30]([CH2:37][C:38](=[O:39])[OH:40])[c:31]2[c:32]1[cH:33][cH:34][cH:35][cH:36]2>>[O:4]1[CH2:5][CH2:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH:27][C:38]([CH2:37][c:30]5[n:29][o:28][c:32]6[c:31]5[cH:36][cH:35][cH:34][cH:33]6)=[O:39])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]21

참가 물질

4

반응물 3

HCID 313Hydrochloric Acid3회HCID 3017292-(1,2-Benzoxazol-3-yl)acetic acidHCID 585673424-[2-[4-(2,3-Dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

생성물 1

HCID 54771973trans-2-Benzo[d] isoxazol-3-yl-N-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-acetamide

출처 및 근거

ORD 기록
ord-c07ac416930e48b5ac36de6cda0e1e74
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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