HRID668026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID1514290

Azetidin-3-ol

C3H7NO

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOC(=O)c1cn2nc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)ccc2n1

HCID58216619

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc4nc(C(=O)N5CC(O)C5)cn4n3)s2)c(F)c1

HCID44552737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42ef2c32d36847e0af3896e0fbf794b4
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

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