HRID1570631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID700

Ethanolamine

C2H7NO

HCID962

Water

H2O

HCID6422

未命名化合物

HCID66036

4-Chlorobenzylamine

C7H8ClN

HCID81531

Diisopropylethylamine

C8H19N

结构：Nc1nc(Cl)ccc1C(=O)NCc1ccc(Oc2ccccc2)s1

HCID23130498

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(NCc2ccc(Cl)cc2)ccc1C(=O)NCc1ccc(Oc2ccccc2)s1

HCID23130810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e974c5e16c2b4e08af93e945550aad85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:54][S:55]([CH3:56])=[O:57].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:25][c:26]1[cH:27][cH:28][c:29]([CH2:30][NH2:31])[cH:32][cH:33]1.[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[s:9][c:10]([O:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[cH:11][cH:12]2)[cH:20][cH:21][c:22]([Cl:24])[n:23]1.[NH2:43][CH2:44][CH2:45][OH:46].[OH2:58].[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[s:9][c:10]([O:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[cH:11][cH:12]2)[cH:20][cH:21][c:22]([NH:31][CH2:30][c:29]2[cH:28][cH:27][c:26]([Cl:25])[cH:33][cH:32]2)[n:23]1