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Dichloromethane → tert-butyl 5-(2-(3-(2-(tert-butoxycarbonyl)acetamido)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate

HRID 1210758
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HRID 1210758 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C:9](=[O:10])[OH:11].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:88][CH2:89][Cl:90].[NH2:54][c:55]1[cH:56][c:57](-[c:61]2[n:62][c:63]3[cH:64][cH:65][cH:66][cH:67][c:68]3[c:69]([NH:71][c:72]3[cH:73][c:74]4[cH:75][n:76][n:77]([C:81](=[O:82])[O:83][C:84]([CH3:85])([CH3:86])[CH3:87])[c:78]4[cH:79][cH:80]3)[n:70]2)[cH:58][cH:59][cH:60]1.[P-:12]([F:13])([F:14])([F:15])([F:16])([F:17])[F:18].[n:19]1([O:20][P+:21]([N:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)([N:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[N:32]2[CH2:33][CH2:34][CH2:35][CH2:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C:9](=[O:11])[NH:54][c:55]1[cH:56][c:57](-[c:61]2[n:62][c:63]3[cH:64][cH:65][cH:66][cH:67][c:68]3[c:69]([NH:71][c:72]3[cH:73][c:74]4[cH:75][n:76][n:77]([C:81](=[O:82])[O:83][C:84]([CH3:85])([CH3:86])[CH3:87])[c:78]4[cH:79][cH:80]3)[n:70]2)[cH:58][cH:59][cH:60]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 5458533-(Tert-butoxy)-3-oxopropanoic acidHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 66825994tert-butyl 5-(2-(3-aminophenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate

생성물 1

HCID 56949455tert-butyl 5-(2-(3-(2-(tert-butoxycarbonyl)acetamido)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate

출처 및 근거

ORD 기록
ord-0bec19c1ae714119856ed36d04ce6a66
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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