HRID676714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID96623

Acetyl chloride, methoxy-

C3H5ClO2

结构：Cc1cccnc1C(=O)Nc1cccc(Oc2ccc3nc(N)cn3c2)c1

HCID57749390

未命名化合物

PRODUCTS

生成物

结构：COCC(=O)Nc1cn2cc(Oc3cccc(NC(=O)c4ncccc4C)c3)ccc2n1

HCID57749206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de21eaff7ba340c1a654c1c3c5a7fd76
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

[CH3:28][O:29][CH2:30][C:31](=[O:32])[Cl:33].[CH3:34][OH:35].[CH3:42][N:43]([CH3:44])[C:45](=[O:46])[CH3:47].[NH2:1][c:2]1[n:3][c:4]2[n:5]([cH:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18](=[O:19])[c:20]4[n:21][cH:22][cH:23][cH:24][c:25]4[CH3:26])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:27]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[NH:1]([c:2]1[n:3][c:4]2[n:5]([cH:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18](=[O:19])[c:20]4[n:21][cH:22][cH:23][cH:24][c:25]4[CH3:26])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:27]1)[C:31]([CH2:30][O:29][CH3:28])=[O:32]