HRID807769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

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：CC(C)(CC(=O)NC1CCc2c(ccc3ccccc23)NC1=O)NC(=O)OC(C)(C)C

HCID53757316

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CC(=O)NC1CCc2c(ccc3ccccc23)N(Cc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C1=O)NC(=O)OC(C)(C)C

HCID54197216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0a9a881a04b44bb8f964c250434a886
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:34][CH2:35][c:36]1[cH:37][cH:38][c:39](-[c:42]2[c:43](-[c:48]3[n:49][n:50][n:51][n:52]3[C:53]([c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)([c:60]3[cH:61][cH:62][cH:63][cH:64][cH:65]3)[c:66]3[cH:67][cH:68][cH:69][cH:70][cH:71]3)[cH:44][cH:45][cH:46][cH:47]2)[cH:40][cH:41]1.[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][C:10]([CH2:11][C:12]([NH:13][CH:14]1[CH2:15][CH2:16][c:17]2[c:18]([cH:22][cH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[NH:19][C:20]1=[O:21])=[O:30])([CH3:31])[CH3:32])=[O:33].[CH3:74][S:75]([CH3:76])=[O:77].[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[Cl-:72].[K+:2].[NH4+:73].[OH-:1].[OH2:84]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][C:10]([CH2:11][C:12]([NH:13][CH:14]1[CH2:15][CH2:16][c:17]2[c:18]([cH:22][cH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[N:19]([CH2:35][c:36]2[cH:37][cH:38][c:39](-[c:42]3[c:43](-[c:48]4[n:49][n:50][n:51][n:52]4[C:53]([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)([c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[c:66]4[cH:67][cH:68][cH:69][cH:70][cH:71]4)[cH:44][cH:45][cH:46][cH:47]3)[cH:40][cH:41]2)[C:20]1=[O:21])=[O:30])([CH3:31])[CH3:32])=[O:33]