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Ammonium → Ethyl 2-dimethylamino-5-ethoxycarbonyl-2,4-tridecadienoate

HRID 177267
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HRID 177267 반응식
[B-:27]([F:28])([F:29])([F:30])[F:31].[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10])(=[O:11])[O:12][CH2:13][CH3:14].[CH2:22]([Li:23])[CH2:24][CH2:25][CH3:26].[CH3:32][N:33]([C:34](=[CH:35][CH:36]=[N+:37]([CH3:38])[CH3:39])[C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH3:45].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[CH:15]([NH:16][CH:17]([CH3:18])[CH3:19])([CH3:20])[CH3:21].[Cl-:46].[Cl:60][CH2:61][Cl:62].[NH4+:47].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:59]>>[C:1]([C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10])=[CH:36][CH:35]=[C:34]([N:33]([CH3:32])[CH3:45])[C:40](=[O:41])[O:42][CH2:43][CH3:44])(=[O:11])[O:12][CH2:13][CH3:14]
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 223AmmoniumHCID 312ChlorideHCID 962WaterHCID 6344DichloromethaneHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8048Ethyl caprateHCID 8058Hexane
HCID 26255
Tetrafluoroborate
HCID 86743576[3-(Dimethylamino)-4-ethoxy-4-oxobut-2-enylidene]-dimethylazanium
HCID 178418339Butyllithium

생성물 1

HCID 54180968Ethyl 2-dimethylamino-5-ethoxycarbonyl-2,4-tridecadienoate

출처 및 근거

ORD 기록
ord-048a389c617740d18b6e755d8d4d52f4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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