Water → 1-(3-nitro-4-chloro-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine

HRID 111053

반응식

HRID 111053 반응식
[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[Cl:1][c:2]1[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[Cl:11])[cH:6][cH:7]1.[Cl:33][CH2:34][Cl:35].[NH:15]1[c:16]2[c:17]([cH:22][cH:23][cH:24][cH:25]2)[CH2:18][CH2:19][CH2:20][CH2:21]1.[OH2:36]>>[Cl:1][c:2]1[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:15]2[c:16]3[c:17]([cH:22][cH:23][cH:24][cH:25]3)[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:6][cH:7]1

참가 물질

6

반응물 5

HCID 962WaterHCID 6344DichloromethaneHCID 7323Benzenesulfonyl chloride, 4-chloro-3-nitro-HCID 8471TriethylamineHCID 5765032,3,4,5-tetrahydro-1H-1-benzazepine

생성물 1

HCID 231200581-(3-nitro-4-chloro-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine

출처 및 근거

ORD 기록
ord-50bbd0ed6c2446f9a9e881f2b24957b6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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