HRID667791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8019

2-Methoxyethanol

C3H8O2

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID67263895

未命名化合物

HCID76446949

3-(2,5-Dichloro-pyrimidin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide

C12H12Cl2N4O

PRODUCTS

生成物

结构：COc1cc2c(cc1Nc1ncc(Cl)c(NC3C4C=CC(C4)C3C(N)=O)n1)CCN(CC(O)C(F)(F)F)CC2

HCID178486450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfefcc2a5bc04aca86ff27dcdb73fd07
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:41]12([CH2:42][S:43]([OH:44])(=[O:45])=[O:46])[C:47]([CH3:48])([CH3:49])[CH:50]([CH2:51][CH2:52]1)[CH2:53][C:54]2=[O:55].[CH3:56][O:57][CH2:58][CH2:59][OH:60].[Cl:22][c:23]1[n:24][cH:25][c:26]([Cl:40])[c:27]([NH:29][CH:30]2[CH:31]([C:37](=[O:38])[NH2:39])[CH:32]3[CH:33]=[CH:34][CH:35]2[CH2:36]3)[n:28]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:18][c:19]1[O:20][CH3:21])[CH2:6][CH2:7][N:8]([CH2:11][CH:12]([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:9][CH2:10]2>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:18][c:19]1[O:20][CH3:21])[CH2:6][CH2:7][N:8]([CH2:11][CH:12]([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:9][CH2:10]2)[c:23]1[n:24][cH:25][c:26]([Cl:40])[c:27]([NH:29][CH:30]2[CH:31]([C:37](=[O:38])[NH2:39])[CH:32]3[CH:33]=[CH:34][CH:35]2[CH2:36]3)[n:28]1