HRID1114831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76513

Diethyl (hydroxymethyl)phosphonate

C5H13O4P

结构：CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID46783205

2-Butyl-4-chloro-1-({2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)-1H-imidazole-5-carboxylic acid

C41H35ClN6O2

结构：CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178441712

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(Cl)c(C(=O)OCP(=O)(OCC)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID86652102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edd7543ccc7742bfb8451a06887c1d63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[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