HRID1558265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID13808350

未命名化合物

结构：COc1ccc(C2(CCOS(C)(=O)=O)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC

HCID18464614

未命名化合物

PRODUCTS

生成物

结构：CCOCCn1c(NC2CCN(CCC3(c4ccc(OC)c(OC)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21

HCID9896590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bba5fc2aafd4eedbe9dd3f46434c767
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:37]([CH3:38])[O:39][CH2:40][CH2:41][n:42]1[c:43]([NH:51][CH:52]2[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]2)[n:44][c:45]2[c:46]1[cH:47][cH:48][cH:49][cH:50]2.[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][O:15][S:16]([CH3:17])(=[O:18])=[O:19])([c:20]3[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:30][c:31]([O:35][CH3:36])[c:32]1[O:33][CH3:34].[CH3:70][C:71]#[N:72].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:67][CH2:68][Cl:69]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][N:55]3[CH2:54][CH2:53][CH:52]([NH:51][c:43]4[n:42]([CH2:41][CH2:40][O:39][CH2:37][CH3:38])[c:46]5[c:45]([n:44]4)[cH:50][cH:49][cH:48][cH:47]5)[CH2:57][CH2:56]3)([c:20]3[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:30][c:31]([O:35][CH3:36])[c:32]1[O:33][CH3:34]