2,2'-Bis(dicyclohexylphosphino)-1,1'-biphenyl → Cep-33779

반응식

[Br:21][c:22]1[cH:23][c:24]([N:28]2[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]2)[cH:25][cH:26][cH:27]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[n:13]([cH:14][cH:15][cH:16]2)[n:17][c:18]([NH2:20])[n:19]3)[cH:9][cH:10]1.[CH:35]1([P:36]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2-[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[P:55]([CH:56]2[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]2)[CH:62]2[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]2)[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[n:13]([cH:14][cH:15][cH:16]2)[n:17][c:18]([NH:20][c:22]2[cH:23][c:24]([N:28]4[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]4)[cH:25][cH:26][cH:27]2)[n:19]3)[cH:9][cH:10]1

참가 물질

반응물 3

HCID 249469872,2'-Bis(dicyclohexylphosphino)-1,1'-biphenyl

HCID 534153291-(3-Bromophenyl)-4-methylpiperazine

HCID 575023768-(4-(Methylsulfonyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

생성물 1

HCID 57336812Cep-33779

출처 및 근거

ORD 기록: ord-13385ab6397241d6b59f116ac9cac5a6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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