HRID2160486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(N)cnc1N1CCC2(CC1)CCN(C1CCC(O)CC1)C2=O

HCID58893160

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Nc1cnc(N2CCC3(CC2)CCN(C2CCC(O)CC2)C3=O)c(C)c1

HCID58893181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7d7e11129a6415b91db4612d71005a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:41][C:42]#[N:43].[CH3:44][OH:45].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][C:2](=[O:3])[O:4][CH3:5].[NH2:6][c:7]1[cH:8][c:9]([CH3:31])[c:10]([N:13]2[CH2:14][CH2:15][C:16]3([CH2:17][CH2:18][N:19]([CH:22]4[CH2:23][CH2:24][CH:25]([OH:28])[CH2:26][CH2:27]4)[C:20]3=[O:21])[CH2:29][CH2:30]2)[n:11][cH:12]1>>[C:2](=[O:3])([O:4][CH3:5])[NH:6][c:7]1[cH:8][c:9]([CH3:31])[c:10]([N:13]2[CH2:14][CH2:15][C:16]3([CH2:17][CH2:18][N:19]([CH:22]4[CH2:23][CH2:24][CH:25]([OH:28])[CH2:26][CH2:27]4)[C:20]3=[O:21])[CH2:29][CH2:30]2)[n:11][cH:12]1