HRID1227591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID9984168

未命名化合物

结构：COc1cc(C(=O)N2CCC(CCOS(C)(=O)=O)(c3cccnc3)C2)cc(OC)c1OC

HCID18464706

未命名化合物

PRODUCTS

生成物

结构：CCOCCn1c(N2CCCN(CCC3(c4cccnc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21

HCID18464629

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b239f6285cb34ea19d4bd22922004106
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

[CH2:33]([CH3:34])[O:35][CH2:36][CH2:37][n:38]1[c:39]([N:47]2[CH2:48][CH2:49][NH:50][CH2:51][CH2:52][CH2:53]2)[n:40][c:41]2[c:42]1[cH:43][cH:44][cH:45][cH:46]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][n:22][cH:23][cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:26][c:27]([O:31][CH3:32])[c:28]1[O:29][CH3:30].[CH3:63][C:64]#[N:65].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62]>>[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:50]3[CH2:49][CH2:48][N:47]([c:39]4[n:38]([CH2:37][CH2:36][O:35][CH2:33][CH3:34])[c:42]5[c:41]([n:40]4)[cH:46][cH:45][cH:44][cH:43]5)[CH2:53][CH2:52][CH2:51]3)([c:20]3[cH:21][n:22][cH:23][cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:26][c:27]([O:31][CH3:32])[c:28]1[O:29][CH3:30]