HRID301188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3cccnc3F)ccc2C(C)(C)C1

HCID21959516

未命名化合物

HCID21961424

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3cccnc3NCc3ccnc4c3CCN4)ccc2C(C)(C)C1

HCID20773481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32493094eee741de90e127ff819e49f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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