HRID1558259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID7972

4-Methylmorpholine

C5H11NO

结构：c1cnc2ccc(C3(c4cnc5ncc(-c6ccc(N7CCNCC7)nc6)cn45)CC3)cc2c1

HCID67224628

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N1CCN(c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cn2)CC1

HCID25144531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69e68abe93ab423fb109e3a54b368245
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

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