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Bicarbonate Ion → tert-butyl N-[5-[(4-cyanophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]carbamate

HRID 299599
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인쇄 미리보기

반응식

HRID 299599 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]([CH2:13][OH:14])[NH:15][CH2:16][CH:17]([CH3:18])[CH3:19])=[O:20].[C:33](#[N:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[Cl:46][CH2:47][Cl:48].[Na+:45].[O-:41][C:42]([OH:43])=[O:44].[S:28](=[O:29])(=[O:30])([Cl:31])[Cl:32]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]([CH2:13][OH:14])[N:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[S:28](=[O:29])(=[O:30])[c:38]1[cH:37][cH:36][c:35]([C:33]#[N:34])[cH:40][cH:39]1)=[O:20]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 7505BenzonitrileHCID 8471TriethylamineHCID 24648Sulfuryl chlorideHCID 76593366tert-butyl N-[6-hydroxy-5-(2-methylpropylamino)hexyl]carbamate

생성물 1

HCID 68913977tert-butyl N-[5-[(4-cyanophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]carbamate

출처 및 근거

ORD 기록
ord-fc49f9878cc44e1bbb7541eaa6f963b5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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