HRID108851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6342

Acetonitrile

C2H3N

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID4615168

8-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

C10H12N2O

HCID87330203

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)CCC3)ncc1Cl

HCID66829913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa083a2923124681bbb62d4dfd34cd9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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