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Sodium Ion → 2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-5,6,7,8-tetrahydro-thiazolo[4,5-c]azepin-4-one

HRID 666584
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인쇄 미리보기

반응식

HRID 666584 반응식
[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]3[CH2:14][C:15](=[O:30])[N:16]([CH2:19][c:20]4[s:21][c:22]5[c:23]([n:24]4)[C:25](=[O:29])[CH2:26][CH2:27][CH2:28]5)[CH2:17][CH2:18]3)[cH:9]2)[cH:31]1.[Cl:41][CH:42]([Cl:43])[Cl:44].[N-:38]=[N+:39]=[N-:40].[Na+:37].[S:32](=[O:33])(=[O:34])([OH:35])[OH:36]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]3[CH2:14][C:15](=[O:30])[N:16]([CH2:19][c:20]4[s:21][c:22]5[c:23]([n:24]4)[C:25](=[O:29])[NH:38][CH2:26][CH2:27][CH2:28]5)[CH2:17][CH2:18]3)[cH:9]2)[cH:31]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium IonHCID 1118Sulfuric AcidHCID 6212ChloroformHCID 33558AzideHCID 670150242-[4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-6,7-dihydro-5H-benzothiazol-4-one

생성물 1

HCID 67014836
2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-5,6,7,8-tetrahydro-thiazolo[4,5-c]azepin-4-one

출처 및 근거

ORD 기록
ord-e7d174c2272a4ecdad3915f793a8a699
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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