HRID209306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID31374

Dimethylacetamide

C4H9NO

HCID4574913

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

HCID178470405

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C(C)(C)O)nc(SCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f546483ad9240a980b06ac6cbfb60a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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