HRID105097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID235097

(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate

C13H18O5S

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCNC3)cc1

HCID66687592

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(CC2COC(C)(C)O2)C3)cc1

HCID67180058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05d49579671f4ac7b84e8da42a79eddc
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

[CH2:2]([CH3:3])[NH:4][C:5](=[O:6])[NH:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][c:16]([N:24]3[CH:25]([CH3:30])[CH2:26][O:27][CH2:28][CH2:29]3)[c:17]3[c:18]([n:19]2)[CH2:20][NH:21][CH2:22][CH2:23]3)[cH:12][cH:13]1.[CH3:31][c:32]1[cH:33][cH:34][c:35]([S:36]([O:37][CH2:42][CH:43]2[O:44][C:45]([CH3:48])([CH3:49])[O:46][CH2:47]2)(=[O:38])=[O:39])[cH:40][cH:41]1.[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[ClH:1].[I-:51].[Na+:50].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[CH2:2]([CH3:3])[NH:4][C:5](=[O:6])[NH:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][c:16]([N:24]3[CH:25]([CH3:30])[CH2:26][O:27][CH2:28][CH2:29]3)[c:17]3[c:18]([n:19]2)[CH2:20][N:21]([CH2:42][CH:43]2[O:44][C:45]([CH3:48])([CH3:49])[O:46][CH2:47]2)[CH2:22][CH2:23]3)[cH:12][cH:13]1