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Benzene → 1-(2-Phenanthrenylcarbonyl)-2,3-piperazinedicarboxylic acid

HRID 692269
노트
인쇄 미리보기

반응식

HRID 692269 반응식
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]2[cH:7][cH:8][c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[c:15]2[cH:16][cH:17]1.[Cl-:36].[ClH:37].[NH:22]1[CH:23]([C:31](=[O:32])[OH:33])[CH:24]([C:28](=[O:29])[OH:30])[NH:25][CH2:26][CH2:27]1.[Na+:35].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH-:34].[S:18]([Cl:19])([Cl:20])=[O:21].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[C:1](=[O:2])([c:4]1[cH:5][c:6]2[cH:7][cH:8][c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[c:15]2[cH:16][cH:17]1)[N:22]1[CH:23]([C:31](=[O:32])[OH:33])[CH:24]([C:28](=[O:29])[OH:30])[NH:25][CH2:26][CH2:27]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 241BenzeneHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 24386Thionyl ChlorideHCID 312751,4-DioxaneHCID 2809732,3-Piperazinedicarboxylic acid
HCID 13234903
Phenanthrene-2-carboxylic acid

생성물 1

HCID 102930291-(2-Phenanthrenylcarbonyl)-2,3-piperazinedicarboxylic acid

출처 및 근거

ORD 기록
ord-2be05bb6749b45549eecbb8bb330a937
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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