HRID1120721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID67326

Benzenemethanamine, 4-fluoro-

C7H8FN

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(NCc4ccc(F)cc4)ncnc32)C1(C)F

HCID178475453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4ca6e5189014b58ad284abce9f61274
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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].[CH3:43][CH2:44][OH:45].[F:33][c:34]1[cH:35][cH:36][c:37]([CH2:38][NH2:39])[cH:40][cH:41]1.[OH2:42]>>[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:39][CH2:38][c:37]4[cH:36][cH:35][c:34]([F:33])[cH:41][cH:40]4)[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]