HRID147742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：COCCOc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

HCID66600649

未命名化合物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(Cl)cnc3Nc3ccc(N)nc3)n2)cc1

HCID66612096

未命名化合物

PRODUCTS

生成物

结构：COCCOc1ccc(NC(=O)Nc2ccc(Nc3ncc(Cl)cc3-c3nc(C)nc(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)n3)cn2)cc1

HCID66612110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2172b634352f402d984691ac1b980596
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:23][c:24]4[cH:25][cH:26][c:27]([NH2:30])[n:28][cH:29]4)[n:18][cH:19][c:20]([Cl:22])[cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[cH:40][cH:41]1.[CH3:42][O:43][CH2:44][CH2:45][O:46][c:47]1[cH:48][cH:49][c:50]([NH:53][C:54]([O:55][c:57]2[cH:58][cH:59][c:60]([N+:61]([O-:62])=[O:63])[cH:64][cH:65]2)=[O:56])[cH:51][cH:52]1.[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[Cl:73][CH2:74][Cl:75]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:23][c:24]4[cH:25][cH:26][c:27]([NH:30][C:54]([NH:53][c:50]5[cH:49][cH:48][c:47]([O:46][CH2:45][CH2:44][O:43][CH3:42])[cH:52][cH:51]5)=[O:55])[n:28][cH:29]4)[n:18][cH:19][c:20]([Cl:22])[cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[cH:40][cH:41]1