HRID1207560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6)[nH]5)cc4)ccc3c2)[nH]1)C(C)C

HCID66620477

未命名化合物

HCID66620906

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)ccc4c3)cc2)[nH]1)c1ccccc1OC

HCID66621409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df21ec20dbdf48cfa610839b557841b4
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

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