HRID187362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID13808350

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(CCOS(C)(=O)=O)(c2ccccc2)C1

HCID18464415

未命名化合物

PRODUCTS

生成物

结构：CCOCCn1c(NC2CCN(CCC3(c4ccccc4)CCN(C(=O)OC(C)(C)C)C3)CC2)nc2ccccc21

HCID53956249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61683c05496a4777ab68a48e6b9130d2
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

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