HRID103413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID21162

Stannylium, trimethyl- (9CI)

C3H9Sn+

结构：CCOC(=O)c1nc(Nc2ccccc2C)oc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID59587602

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1Nc1nc(C(=O)O)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)o1

HCID59587589

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ebcb588a6334b18b1adc81dd337e30c
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

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