Diethyl phosphonomethanol → (diethoxyphosphoryl)methyl 2-butyl-4-chloro-1-{[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylate

HRID 1114831노트

반응식

HRID 1114831 반응식
[CH2:1]([c:2]1[n:3]([CH2:4][c:5]2[cH:6][cH:7][c:8](-[c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3-[c:15]3[nH:16][n:17][n:18][n:19]3)[cH:20][cH:21]2)[c:22]([C:23]([OH:24])=[O:25])[c:26]([Cl:27])[n:28]1)[CH2:29][CH2:30][CH3:31].[CH2:32]([CH2:33][CH2:34][CH3:35])[c:36]1[n:37]([CH2:45][c:46]2[cH:47][cH:48][c:49](-[c:52]3[c:53](-[c:58]4[n:59][n:60][n:61][n:62]4[C:63]([c:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)([c:70]4[cH:71][cH:72][cH:73][cH:74][cH:75]4)[c:76]4[cH:77][cH:78][cH:79][cH:80][cH:81]4)[cH:54][cH:55][cH:56][cH:57]3)[cH:50][cH:51]2)[c:38]([C:42](=[O:43])[OH:44])[c:39]([Cl:41])[n:40]1.[OH:82][CH2:83][P:84]([O:85][CH2:86][CH3:87])([O:88][CH2:89][CH3:90])=[O:91]>>[CH2:32]([CH2:33][CH2:34][CH3:35])[c:36]1[n:37]([CH2:45][c:46]2[cH:47][cH:48][c:49](-[c:52]3[c:53](-[c:58]4[n:59][n:60][n:61][n:62]4[C:63]([c:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)([c:70]4[cH:71][cH:72][cH:73][cH:74][cH:75]4)[c:76]4[cH:77][cH:78][cH:79][cH:80][cH:81]4)[cH:54][cH:55][cH:56][cH:57]3)[cH:50][cH:51]2)[c:38]([C:42](=[O:43])[O:44][CH2:83][P:84]([O:85][CH2:86][CH3:87])([O:88][CH2:89][CH3:90])=[O:91])[c:39]([Cl:41])[n:40]1

참가 물질

4

반응물 3

HCID 76513Diethyl phosphonomethanolHCID 467832052-Butyl-4-chloro-1-({2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)-1H-imidazole-5-carboxylic acidHCID 178441712HCID 178441712, 화합물

생성물 1

HCID 86652102(diethoxyphosphoryl)methyl 2-butyl-4-chloro-1-{[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylate

출처 및 근거

ORD 기록
ord-edd7543ccc7742bfb8451a06887c1d63
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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