Tetrahydrofuran → 4-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-phenylamine

반응식

[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][N:15]([c:18]3[n:19][s:20][c:21]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[CH2:16][CH2:17]2)[cH:8][cH:9]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][N:15]([c:18]3[n:19][s:20][c:21]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[CH2:16][CH2:17]2)[cH:8][cH:9]1

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 8471Triethylamine

HCID 219632673-{4-[2-(4-Nitro-phenyl)-ethyl]-piperazin-1-YL}-1,2-benzisothiazole

생성물 1

HCID 219631764-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-phenylamine

출처 및 근거

ORD 기록: ord-c2d314aebd7c4edbbb276033780c1808
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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