Water → 1-(2-Nitro-benzenesulfonyl)-4-[(thymin-1-yl)-acetyl]-piperazin-2-one

반응식

[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[NH:13][CH2:14][CH2:15][N:16]([CH2:17][C:18](=[O:19])[OH:20])[C:21]([CH2:22][n:23]2[c:24](=[O:25])[nH:26][c:27](=[O:28])[c:29]([CH3:30])[cH:31]2)=[O:32])[cH:6][cH:7][cH:8][cH:9]1.[OH2:33]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([C:21]([CH2:22][n:23]3[c:24](=[O:25])[nH:26][c:27](=[O:28])[c:29]([CH3:30])[cH:31]3)=[O:32])[CH2:17][C:18]2=[O:19])[cH:6][cH:7][cH:8][cH:9]1

참가 물질

반응물 3

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 22222414N-[2-(2-Nitro-benzenesulfonylamino)-ethyl]-N-[(thymin-1-yl)-acetyl]-glycine

생성물 1

HCID 222223791-(2-Nitro-benzenesulfonyl)-4-[(thymin-1-yl)-acetyl]-piperazin-2-one

출처 및 근거

ORD 기록: ord-399a20421cbf479c89d4f0123e004dc0
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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