HRID2162296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID24261834

未命名化合物

HCID68575380

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccnc1)N1CCC(c2nc(-c3ccccc3)cs2)CC1

HCID68778123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91db451b275e469a82d61f7bacf08685
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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