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Benzene → 3-[2-[4-(2-Chloro-dibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-ethyl]-2-oxazolidinone

HRID 200963
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인쇄 미리보기

반응식

HRID 200963 반응식
[C:32](=[O:33])([OH:34])[O-:35].[Cl-:43].[Cl-:44].[Cl-:45].[Cl-:46].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[S:6][c:7]1[c:8]([cH:12][cH:13][cH:14][cH:15]1)[C:9](=[O:11])[CH2:10]2.[N:18]1([CH2:24][CH2:25][N:26]2[C:27](=[O:31])[O:28][CH2:29][CH2:30]2)[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1.[Na+:36].[Ti+4:47].[cH:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[S:6][c:7]1[c:8]([cH:12][cH:13][cH:14][cH:15]1)[C:9]([N:21]1[CH2:20][CH2:19][N:18]([CH2:24][CH2:25][N:26]3[C:27](=[O:31])[O:28][CH2:29][CH2:30]3)[CH2:23][CH2:22]1)=[CH:10]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 241BenzeneHCID 312Chloride4회HCID 769Bicarbonate IonHCID 923Sodium IonHCID 114942Titanium cation (4+)HCID 8270562-Chlorodibenzo(b,f)thiepin-10(11H)-oneHCID 122755453-[2-(1-Piperazinyl)ethyl]-2-oxazolidinone

생성물 1

HCID 214560453-[2-[4-(2-Chloro-dibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-ethyl]-2-oxazolidinone

출처 및 근거

ORD 기록
ord-ba8bfb335450436da8fba049cbed9f21
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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