HRID87375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID77531

2,4-Dichloropyrimidine

C4H2Cl2N2

结构：Cn1c(N(C(=O)OC(C)(C)C)c2ccccc2)nc2cc(N)ccc21

HCID59674190

未命名化合物

PRODUCTS

生成物

结构：Cn1c(N(C(=O)OC(C)(C)C)c2ccccc2)nc2cc(Nc3ccnc(Cl)n3)ccc21

HCID59674250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86ed432599954908b047e2a86b42bfdb
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

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