HRID676490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID31374

Dimethylacetamide

C4H9NO

HCID13247046

5,6,7,8-Tetrahydroimidazo[1,2-a]pyrazine

C6H9N3

结构：COC(=O)c1c(Cl)nc(SCc2ccccc2)nc1NCc1ccc(OC)c(Cl)c1

HCID17848309

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(NCc2ccc(OC)c(Cl)c2)nc(SCc2ccccc2)nc1N1CCn2ccnc2C1

HCID17848303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9b790c1216d4b9fa1f094f9e290eb43
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

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