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Ammonium → tert-butyl N-[5-[[[2-(3-methoxypropoxy)benzoyl]amino]methyl]-6-methylhept-1-en-3-yl]carbamate

HRID 172397
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HRID 172397 반응식
[Br-:50].[CH3:1][Si:2]([N-:3][Si:4]([CH3:5])([CH3:6])[CH3:7])([CH3:8])[CH3:9].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[CH3:51][P+:52]([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)([c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH:11](=[O:12])[CH:13]([CH2:14][CH:15]([CH:16]([CH3:17])[CH3:18])[CH2:19][NH:20][C:21]([c:22]1[c:23]([O:28][CH2:29][CH2:30][CH2:31][O:32][CH3:33])[cH:24][cH:25][cH:26][cH:27]1)=[O:34])[NH:35][C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42].[Cl-:43].[K+:10].[NH4+:44]>>[CH2:1]=[CH:11][CH:13]([CH2:14][CH:15]([CH:16]([CH3:17])[CH3:18])[CH2:19][NH:20][C:21]([c:22]1[c:23]([O:28][CH2:29][CH2:30][CH2:31][O:32][CH3:33])[cH:24][cH:25][cH:26][cH:27]1)=[O:34])[NH:35][C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 813Potassium CationHCID 3283Diethyl EtherHCID 74506TriphenylmethylphosphoniumHCID 3280088Npc316347
HCID 91165337
tert-butyl N-[4-[[[2-(3-methoxypropoxy)benzoyl]amino]methyl]-5-methyl-1-oxohexan-2-yl]carbamate

생성물 1

HCID 91344097tert-butyl N-[5-[[[2-(3-methoxypropoxy)benzoyl]amino]methyl]-6-methylhept-1-en-3-yl]carbamate

출처 및 근거

ORD 기록
ord-765027f98c7b4ceca50f642f6dcb902a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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