HRID91859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID6558

Isobutylamine

C4H11N

结构：CC(=O)OC1(C)C(COC(=O)c2ccccc2)OC(n2cnc3c(Cl)ncnc32)C1(C)F

HCID178475442

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1(C)C(COC(=O)c2ccccc2)OC(n2cnc3c(NCC(C)C)ncnc32)C1(C)F

HCID178475455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faf49ce155cc45a9a2048f22ec173cd3
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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH2:10][CH:11]1[O:12][CH:13]([n:23]2[c:24]3[n:25][cH:26][n:27][c:28]([Cl:32])[c:29]3[n:30][cH:31]2)[C:14]([CH3:21])([F:22])[C:15]1([CH3:16])[O:17][C:18]([CH3:19])=[O:20].[CH2:33]([CH:34]([CH3:35])[CH3:36])[NH2:37].[CH3:39][CH2:40][OH:41].[OH2:38]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH2:10][CH:11]1[O:12][CH:13]([n:23]2[c:24]3[n:25][cH:26][n:27][c:28]([NH:37][CH2:33][CH:34]([CH3:35])[CH3:36])[c:29]3[n:30][cH:31]2)[C:14]([CH3:21])([F:22])[C:15]1([CH3:16])[O:17][C:18]([CH3:19])=[O:20]