HRID197522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID66082

N-(2-Aminoethyl)acetamide

C4H10N2O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC(C)(C)CO)C12C(=O)Nc1cc(Cl)ccc12

HCID76567885

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1C1CC(=O)NC(c2cc(F)ccc2C)C12C(=O)Nc1cc(Cl)ccc12

HCID74928686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24976321d25b4ec4b6879f3f0826e9c1
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

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