HRID2341687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID22476234

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(=C(Br)c2ccccc2)CC1

HCID59034585

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(OC)c2c(C(=O)C(=O)N3CCC(=C(Br)c4ccccc4)CC3)c[nH]c12

HCID5279817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdbd41931e914177b22af0b840dee0fb
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

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