HRID110527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID15056388

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3c(c2)CCc2cc(C(=O)CBr)ccc2-3)[nH]1

HCID72337951

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3c(c2)CCc2cc(C(=O)COC(=O)C4C5CCC(C5)N4C(=O)OC(C)(C)C)ccc2-3)[nH]1

HCID66620552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10c423399c094127abdebb7a89e0a9d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][CH2:11][CH:12]([CH:13]1[C:14](=[O:15])[OH:16])[CH2:17]2.[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH:35]([c:39]2[nH:40][c:41](-[c:44]3[cH:45][c:46]4[c:55]([cH:56][cH:57]3)-[c:54]3[c:49]([cH:50][c:51]([C:58]([CH2:59][Br:60])=[O:61])[cH:52][cH:53]3)[CH2:48][CH2:47]4)[cH:42][n:43]2)[CH2:36][CH2:37][CH2:38]1.[CH3:62][C:63]#[N:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH:18]([N:19]([CH2:20][CH3:21])[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][CH2:11][CH:12]([CH:13]1[C:14](=[O:15])[O:16][CH2:59][C:58]([c:51]1[cH:50][c:49]3[c:54]([cH:53][cH:52]1)-[c:55]1[c:46]([cH:45][c:44](-[c:41]4[nH:40][c:39]([CH:35]5[N:34]([C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[CH2:38][CH2:37][CH2:36]5)[n:43][cH:42]4)[cH:57][cH:56]1)[CH2:47][CH2:48]3)=[O:61])[CH2:17]2