HRID1232134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8003

Pentane

C5H12

HCID31275

1,4-Dioxane

C4H8O2

HCID97113

4-Chloro-2-methylthiopyrimidine

C5H5ClN2S

HCID166653

Hydride

H-

结构：CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCO)CC2)n1

HCID69026233

未命名化合物

PRODUCTS

生成物

结构：CSc1nccc(OCCCN2CCN(c3cc(C4CCC4)nc(C(C)(C)C)n3)CC2)n1

HCID69026168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2d29ccf370347e399491f9a83518255
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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