HRID691824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

反应SMILES：CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCNCC2)c1

HCID57860784

未命名化合物

反应SMILES：CC(C)(C)OC(=O)N1CCC(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1

HCID68532395

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

HCID68532395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0096a62d97ca45029bae07fee357e115
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[C:2]([c:3]1[cH:4][cH:5][c:6]([C:7]([NH:8][c:9]2[cH:10][cH:11][c:12]([Cl:13])[cH:14][c:15]2[C:16]([NH:17][c:18]2[cH:19][cH:20][c:21]([Cl:24])[cH:22][n:23]2)=[O:25])=[O:26])[c:27]([O:28][CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:35]1)([CH3:36])([CH3:37])[CH3:38].[C:39]([CH3:40])([CH3:41])([CH3:42])[c:43]1[cH:44][c:45]([O:69][CH:70]2[CH2:71][CH2:72][N:73]([C:76](=[O:77])[O:78][C:79]([CH3:80])([CH3:81])[CH3:82])[CH2:74][CH2:75]2)[c:46]([C:47](=[O:48])[NH:49][c:50]2[c:51]([C:52](=[O:53])[NH:54][c:55]3[n:56][cH:57][c:58]([Cl:61])[cH:59][cH:60]3)[cH:62][c:63]([Cl:66])[cH:64][cH:65]2)[cH:67][cH:68]1.[ClH:1]>>[C:39]([CH3:40])([CH3:41])([CH3:42])[c:43]1[cH:44][c:45]([O:69][CH:70]2[CH2:71][CH2:72][N:73]([C:76](=[O:77])[O:78][C:79]([CH3:80])([CH3:81])[CH3:82])[CH2:74][CH2:75]2)[c:46]([C:47](=[O:48])[NH:49][c:50]2[c:51]([C:52](=[O:53])[NH:54][c:55]3[n:56][cH:57][c:58]([Cl:61])[cH:59][cH:60]3)[cH:62][c:63]([Cl:66])[cH:64][cH:65]2)[cH:67][cH:68]1.[ClH:24]