HRID2334296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID84468

Trifluoroacetate

C2F3O2-

结构：Brc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12

HCID58603311

4-Bromo-5,6-diphenylfuro[2,3-d]pyrimidine

C18H11BrN2O

HCID178514197

未命名化合物

PRODUCTS

生成物

结构：c1ccc(-c2oc3ncnc(NCC4CCCS4)c3c2-c2ccccc2)cc1

HCID68458217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a79c84f3cce477484b129c8adc50236
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:15][c:16]1[c:17]2[c:18]([n:19][cH:20][n:21]1)[o:22][c:23](-[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:24]2-[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[F:1][C:2]([F:3])([F:4])[C:5]([O-:6])=[O:7].[S:8]1[CH:9]([CH2:13][NH3+:14])[CH2:10][CH2:11][CH2:12]1>>[S:8]1[CH:9]([CH2:13][NH:14][c:16]2[c:17]3[c:18]([n:19][cH:20][n:21]2)[o:22][c:23](-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:24]3-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:10][CH2:11][CH2:12]1