HRID203390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID6212

Chloroform

CHCl3

HCID31374

Dimethylacetamide

C4H9NO

HCID429342

6-Bromomethyl-2,4-pteridinediamine

C7H7BrN6

HCID18961793

Methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

C10H11NO3

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)OCCN2Cc1cnc2nc(N)nc(N)c2n1

HCID18961817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64d1ce5f280543719fc4bd16eabeaefb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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