HRID177592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7237

o-Xylene

C8H10

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID536556

未命名化合物

结构：CC(C)(C)C(C)(C)Nc1nc(Cl)nc(NC(C)(C)C(C)(C)C)n1

HCID15572577

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(C)(C)Nc1nc(NC(C)(C)C(C)(C)C)nc(C2NCC3CCC2(C)C3(C)C)n1

HCID70562567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4906122df214b199e57c7907edea744
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

[CH3:24][C:25]12[CH2:26][NH:27][CH2:28][CH:29]([CH2:30][CH2:31]1)[C:32]2([CH3:33])[CH3:34].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[n:3][c:4]([NH:16][C:17]([C:18]([CH3:19])([CH3:20])[CH3:21])([CH3:22])[CH3:23])[n:5][c:6]([NH:8][C:9]([C:10]([CH3:11])([CH3:12])[CH3:13])([CH3:14])[CH3:15])[n:7]1.[Cl:59][CH2:60][Cl:61].[OH2:58].[c:44]1([CH3:45])[c:46]([CH3:47])[cH:48][cH:49][cH:50][cH:51]1>>[c:2]1([CH:26]2[C:25]3([CH3:24])[CH2:31][CH2:30][CH:29]([CH2:28][NH:27]2)[C:32]3([CH3:33])[CH3:34])[n:3][c:4]([NH:16][C:17]([C:18]([CH3:19])([CH3:20])[CH3:21])([CH3:22])[CH3:23])[n:5][c:6]([NH:8][C:9]([C:10]([CH3:11])([CH3:12])[CH3:13])([CH3:14])[CH3:15])[n:7]1