HRID189523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

反应SMILES：COc1cc2ncnc(Oc3cccc(N)c3)c2cc1OC

HCID49841002

未命名化合物

反应SMILES：O=C(Nc1cc(C2CC2)nn1-c1ccccc1)Oc1ccccc1

HCID66875916

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C5CC5)nn4-c4ccccc4)c3)c2cc1OC

HCID58267852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-db393e42c63a49e78750f640f89bb9af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH3:25][O:26][c:27]1[cH:28][c:29]2[c:30]([O:39][c:40]3[cH:41][c:42]([NH2:43])[cH:44][cH:45][cH:46]3)[n:31][cH:32][n:33][c:34]2[cH:35][c:36]1[O:37][CH3:38].[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[CH3:53][S:54]([CH3:55])=[O:56].[CH:1]1([c:4]2[n:5][n:6](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:7]([NH:9][C:10]([O:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)=[O:18])[cH:8]2)[CH2:2][CH2:3]1.[OH2:47]>>[CH:1]1([c:4]2[n:5][n:6](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:7]([NH:9][C:10](=[O:18])[NH:43][c:42]3[cH:41][c:40]([O:39][c:30]4[c:29]5[cH:28][c:27]([O:26][CH3:25])[c:36]([O:37][CH3:38])[cH:35][c:34]5[n:33][cH:32][n:31]4)[cH:46][cH:45][cH:44]3)[cH:8]2)[CH2:2][CH2:3]1