HRID672427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7672

Phenyl isocyanate

C7H5NO

HCID31374

Dimethylacetamide

C4H9NO

结构：Cc1cccc(-c2nc(N)sc2-c2ccnc(NC3CCCC3)c2)c1

HCID17862984

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-c2nc(NC(=O)Nc3ccccc3)sc2-c2ccnc(NC3CCCC3)c2)c1

HCID18446692

N-{5-[2-(Cyclopentylamino)pyridin-4-yl]-4-(3-methylphenyl)-1,3-thiazol-2-yl}-N'-phenylurea

C27H27N5OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6358fbe9f4694cc8b9599e85735390f4
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:35](=[O:36])([O-:37])[OH:38].[CH3:40][N:41]([CH3:42])[C:43](=[O:44])[CH3:45].[CH:1]1([NH:6][c:7]2[n:8][cH:9][cH:10][c:11](-[c:13]3[c:14](-[c:19]4[cH:20][c:21]([CH3:25])[cH:22][cH:23][cH:24]4)[n:15][c:16]([NH2:18])[s:17]3)[cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Na+:39].[O:26]=[C:27]=[N:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH:1]1([NH:6][c:7]2[n:8][cH:9][cH:10][c:11](-[c:13]3[c:14](-[c:19]4[cH:20][c:21]([CH3:25])[cH:22][cH:23][cH:24]4)[n:15][c:16]([NH:18][C:27](=[O:26])[NH:28][c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[s:17]3)[cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1