HRID122758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID8764

Benzenamine, 4-phenoxy-

C12H11NO

HCID11379795

未命名化合物

HCID11412697

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=S)Nc1ccc(Oc2ccccc2)cc1

HCID58976467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f0cc658d0ba4d3da7db23d76340c94d
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](=[S:2])([c:3]1[nH:4][cH:5][cH:6][n:7]1)[c:8]1[nH:9][cH:10][cH:11][n:12]1.[CH3:49][C:50]#[N:51].[NH2:32][c:33]1[n:34][c:35]([NH:38][c:39]2[cH:40][cH:41][c:42]([S:45](=[O:46])(=[O:47])[NH2:48])[cH:43][cH:44]2)[n:36][nH:37]1.[O:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][c:23]([NH2:24])[cH:25][cH:26]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[nH:27]1[cH:28][cH:29][n:30][cH:31]1>>[C:1](=[S:2])([NH:24][c:23]1[cH:22][cH:21][c:20]([O:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:26][cH:25]1)[n:37]1[c:33]([NH2:32])[n:34][c:35]([NH:38][c:39]2[cH:40][cH:41][c:42]([S:45](=[O:46])(=[O:47])[NH2:48])[cH:43][cH:44]2)[n:36]1