HRID2342626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11208

Oxirane, 2,2-dimethyl-

C4H8O

HCID28486

Lithium ion

Li+

HCID123351

Perchlorate

ClO4-

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1ccc(C3CNC3)cc1-2

HCID67050529

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1ccc(C3CN(CC(C)(C)O)C3)cc1-2

HCID51355044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3df28a6fd4394f49af36d910adc00b0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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