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Palladium → 4,4-dimethyl-7-[2-([1,7]naphthyridin-2-ylamino)-benzoylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

HRID 300731
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인쇄 미리보기

반응식

HRID 300731 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([NH:20][C:21]([c:22]3[c:23]([NH2:28])[cH:24][cH:25][cH:26][cH:27]3)=[O:29])[cH:13][cH:14][c:15]2[C:16]([CH3:18])([CH3:19])[CH2:17]1.[Cl:30][c:31]1[n:32][c:33]2[cH:34][n:35][cH:36][cH:37][c:38]2[cH:39][cH:40]1.[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[Pd:41].[Pd:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([NH:20][C:21]([c:22]3[c:23]([NH:28][c:31]4[n:32][c:33]5[cH:34][n:35][cH:36][cH:37][c:38]5[cH:39][cH:40]4)[cH:24][cH:25][cH:26][cH:27]3)=[O:29])[cH:13][cH:14][c:15]2[C:16]([CH3:18])([CH3:19])[CH2:17]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 23938Palladium2회HCID 95417Dibenzylidene acetone3회HCID 206966252-Chloro-1,7-naphthyridineHCID 695107067-(2-amino-benzoylamino)-4,4-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

생성물 1

HCID 695112584,4-dimethyl-7-[2-([1,7]naphthyridin-2-ylamino)-benzoylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-c346503e0b2d48f9b0aef6edcf58be6f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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