HRID2142247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID1514400

tert-Butyl 4-(2-aminoethyl)piperazine-1-carboxylate

C11H23N3O2

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

HCID58603311

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

C18H11BrN2O

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)CC1

HCID11691808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63226ec2f9524e7cae1b6266202959f5
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:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[o:8][c:9](-[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:10]2-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[N:30]1[CH2:31][CH2:32][N:33]([CH2:36][CH2:37][NH2:38])[CH2:34][CH2:35]1.[CH2:48]([OH:49])[CH2:50][CH2:51][CH3:52].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47]>>[c:2]1([NH:38][CH2:37][CH2:36][N:33]2[CH2:32][CH2:31][N:30]([C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[CH2:35][CH2:34]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[o:8][c:9](-[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:10]2-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1