Acetate → 7-[8-(2-Methoxy-phenyl)[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester

HRID 1131285

반응식

HRID 1131285 반응식
[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH2:27][CH2:28][c:29]2[c:30]([cH:33][cH:34][c:35]([NH2:37])[cH:36]2)[CH2:31][CH2:32]1.[C:76](=[O:77])([O-:78])[O-:79].[C:82]([O-:83])(=[O:84])[CH3:85].[C:87]([O-:88])(=[O:89])[CH3:90].[CH2:91]1[O:92][CH2:93][CH2:94][O:95][CH2:96]1.[CH:38]1([P:39]([CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[C:46]2([P:47]([CH:48]3[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]3)[CH:54]3[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]3)[CH2:60][CH:61]=[CH:62][CH:63]=[C:64]2[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[CH2:71][CH2:72][CH2:73][CH2:74][CH2:75]1.[Cl:1][c:2]1[n:3][n:4]2[c:5]([c:6](-[c:10]3[c:11]([O:16][CH3:17])[cH:12][cH:13][cH:14][cH:15]3)[cH:7][cH:8][cH:9]2)[n:18]1.[Cs+:80].[Cs+:81].[Pd+2:86]>>[c:2]1([NH:37][c:35]2[cH:34][cH:33][c:30]3[c:29]([cH:36]2)[CH2:28][CH2:27][N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:32][CH2:31]3)[n:3][n:4]2[c:5]([c:6](-[c:10]3[c:11]([O:16][CH3:17])[cH:12][cH:13][cH:14][cH:15]3)[cH:7][cH:8][cH:9]2)[n:18]1

참가 물질

9

반응물 8

HCID 175Acetate2회HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2회HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 11402789Tert-butyl 7-amino-4,5-dihydro-1H-benzo[D]azepine-3(2H)-carboxylateHCID 674814532-Chloro-8-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridineHCID 866483582,2-Bis-dicyclohexylphosphanyl-biphenyl

생성물 1

HCID 596124757-[8-(2-Methoxy-phenyl)[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-0e669dd26e83478197bdb50f9769cf71
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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