HRID687956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6456

Trityl chloride

C19H15Cl

HCID8471

Triethylamine

C6H15N

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)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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71ea421483ac47619a0e6ada467a62e0
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

[C:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)([c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[Cl:58].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22](-[c:27]4[n:28][n:29][n:30][nH:31]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:7]([C:11](=[O:12])[OH:13])[c:8]([Cl:10])[n:9]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:59][CH2:60][Cl:61]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22](-[c:27]4[n:28][n:29][n:30][n:31]4[C:39]([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)([c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:7]([C:11](=[O:12])[OH:13])[c:8]([Cl:10])[n:9]1