HRID690290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10962

1-Iodobutane

C4H9I

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2N)c1

HCID67273349

未命名化合物

PRODUCTS

生成物

结构：CCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2NCCCC)c1

HCID67272544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-860218453f6249e7ae7fd321487a50c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[I:30][CH2:31][CH2:32][CH2:33][CH3:34].[NH2:1][c:2]1[c:3](-[c:14]2[cH:15][c:16]([N:20]([C:21](=[O:22])[NH:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH3:29])[cH:17][cH:18][cH:19]2)[cH:4][cH:5][c:6]([CH2:8][CH2:9][C:10](=[O:11])[O:12][CH3:13])[cH:7]1.[OH2:44]>>[NH:1]([c:2]1[c:3](-[c:14]2[cH:15][c:16]([N:20]([C:21](=[O:22])[NH:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH3:29])[cH:17][cH:18][cH:19]2)[cH:4][cH:5][c:6]([CH2:8][CH2:9][C:10](=[O:11])[O:12][CH3:13])[cH:7]1)[CH2:31][CH2:32][CH2:33][CH3:34]