HRID188794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC1c1cncc(C(=O)c2ccc(F)cc2)c1

HCID67340920

未命名化合物

PRODUCTS

生成物

结构：NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC1c1cncc(C(=O)c2ccc(F)cc2)c1

HCID67339557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f3bea9ffef342e2b883b61f00484471
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

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