HRID214919

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(C5CNCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C

HCID66620775

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CN(C(=O)OC)CN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C

HCID66620151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74cd6526d37e4ee3bb34ac5f99d918e5
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

[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]([CH:45]6[N:46]([C:50]([CH:51]([CH:52]([CH3:53])[CH3:54])[NH:55][C:56](=[O:57])[O:58][CH3:59])=[O:60])[CH2:47][NH:48][CH2:49]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:61].[Cl:62][C:63](=[O:64])[O:65][CH3:66].[Cl:67][CH2:68][Cl:69]>>[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]([CH:45]6[N:46]([C:50]([CH:51]([CH:52]([CH3:53])[CH3:54])[NH:55][C:56](=[O:57])[O:58][CH3:59])=[O:60])[CH2:47][N:48]([C:63](=[O:64])[O:65][CH3:66])[CH2:49]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:61]