HRID1144662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID262751

Phenylalanine, 1,1-dimethylethyl ester

C13H19NO2

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

HCID10053461

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

C33H25BrN4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(Cc1ccccc1)NCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178450908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15cf7fb65a1a44c19399379e15b7e5bd
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

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