HRID2162001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

结构：CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID10009675

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

HCID10176511

2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one

C11H18N2O

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178441442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a91f02203054420fb98b1e438e3cb29d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:53][CH2:54][c:55]1[cH:56][cH:57][c:58](-[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2-[c:65]2[n:66]([C:67]([c:68]3[cH:69][cH:70][cH:71][cH:72][cH:73]3)([c:74]3[cH:75][cH:76][cH:77][cH:78][cH:79]3)[c:80]3[cH:81][cH:82][cH:83][cH:84][cH:85]3)[n:86][n:87][n:88]2)[cH:89][cH:90]1.[CH2:2]([CH2:3][CH2:4][CH3:5])[C:6]1=[N:7][C:8]2([C:9](=[O:48])[N:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:24]4[n:25][n:26][n:27][n:28]4[C:29]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]1)[CH2:49][CH2:50][CH2:51][CH2:52]2.[CH2:91]([C:92]1=[N:101][C:96]2([C:94](=[O:95])[NH:93]1)[CH2:97][CH2:98][CH2:99][CH2:100]2)[CH2:102][CH2:103][CH3:104].[CH3:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[ClH:105].[ClH:1].[OH2:106]>>[CH2:2]([CH2:3][CH2:4][CH3:5])[C:6]1=[N:7][C:8]2([C:9](=[O:48])[N:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:24]4[nH:25][n:26][n:27][n:28]4)[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]1)[CH2:49][CH2:50][CH2:51][CH2:52]2.[ClH:1]