Water → 3-[4-[1-(4-Fluorophenyl)-4-piperazinyl]butyl]-1,4-dioxothiazolidine

반응식

[CH2:25]1[O:26][CH2:27][CH2:28][CH2:29]1.[F:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][CH2:18][N:19]3[CH2:20][S:21][CH2:22][C:23]3=[O:24])[CH2:13][CH2:14]2)[cH:7][cH:8]1.[OH2:1]>>[O:1]=[S:21]1[CH2:20][N:19]([CH2:18][CH2:17][CH2:16][CH2:15][N:12]2[CH2:11][CH2:10][N:9]([c:6]3[cH:5][cH:4][c:3]([F:2])[cH:8][cH:7]3)[CH2:14][CH2:13]2)[C:23](=[O:24])[CH2:22]1

참가 물질

반응물 3

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 107593943-[4-[1-(4-Fluorophenyl)-4-piperazinyl]butyl]-4-thiazolidinone

생성물 1

HCID 148561683-[4-[1-(4-Fluorophenyl)-4-piperazinyl]butyl]-1,4-dioxothiazolidine

출처 및 근거

ORD 기록: ord-511561f36db94a8dac78e6afd1f5017e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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