HRID2128994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID7972

4-Methylmorpholine

C5H11NO

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(CN5CCCC(N)C5=O)[nH]4)cc3)cc2)[nH]1)C(C)C

HCID66620097

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC1CCCN(Cc2ncc(-c3ccc(-c4ccc(-c5cnc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)cc4)cc3)[nH]2)C1=O

HCID66620882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82b4482770b54ca092d143a274f36362
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

[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:8][O:9][C:10]([NH:11][CH:12]([CH:13]([CH3:14])[CH3:15])[C:16](=[O:17])[N:18]1[CH:19]([c:23]2[nH:24][c:25](-[c:28]3[cH:29][cH:30][c:31](-[c:34]4[cH:35][cH:36][c:37](-[c:40]5[nH:41][c:42]([CH2:45][N:46]6[C:47](=[O:53])[CH:48]([NH2:52])[CH2:49][CH2:50][CH2:51]6)[n:43][cH:44]5)[cH:38][cH:39]4)[cH:32][cH:33]3)[cH:26][n:27]2)[CH2:20][CH2:21][CH2:22]1)=[O:54].[Cl:55][C:56](=[O:57])[O:58][CH3:59].[Cl:60][CH2:61][Cl:62]>>[CH3:8][O:9][C:10]([NH:11][CH:12]([CH:13]([CH3:14])[CH3:15])[C:16](=[O:17])[N:18]1[CH:19]([c:23]2[nH:24][c:25](-[c:28]3[cH:29][cH:30][c:31](-[c:34]4[cH:35][cH:36][c:37](-[c:40]5[nH:41][c:42]([CH2:45][N:46]6[C:47](=[O:53])[CH:48]([NH:52][C:56](=[O:57])[O:58][CH3:59])[CH2:49][CH2:50][CH2:51]6)[n:43][cH:44]5)[cH:38][cH:39]4)[cH:32][cH:33]3)[cH:26][n:27]2)[CH2:20][CH2:21][CH2:22]1)=[O:54]