HRID686530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4640555

未命名化合物

结构：BrCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID10053461

5-[4'-(Bromomethyl)[1,1'-biphenyl]-2-yl]-1-(triphenylmethyl)-1H-tetrazole

C33H25BrN4

结构：CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(C(=O)O)C(C)C

HCID178447293

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)OCc1ccccc1

HCID17974051

Benzyl N-({2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)valinate

C45H41N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-495eef24218246f9a5d8676509b169b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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