HRID316002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID8471

Triethylamine

C6H15N

HCID31374

Dimethylacetamide

C4H9NO

HCID13247046

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

C6H9N3

结构：COC(=O)c1c(NCc2ccc(OC)c(Cl)c2)nc(S(C)=O)nc1N1CCC(O)CC1

HCID17848319

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(NCc2ccc(OC)c(Cl)c2)nc(N2CCn3ccnc3C2)nc1N1CCC(O)CC1

HCID17848312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-975b94c045d54c0da0e129a252e51246
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][N:49]([CH3:50])[C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[n:8][c:9]([S:24]([CH3:25])=[O:26])[n:10][c:11]([N:17]3[CH2:18][CH2:19][CH:20]([OH:23])[CH2:21][CH2:22]3)[c:12]2[C:13](=[O:14])[O:15][CH3:16])[cH:27][cH:28][c:29]1[O:30][CH3:31].[OH:54][C:55]([CH2:56][C:57]([C:58](=[O:59])[OH:60])([CH2:61][C:62](=[O:63])[OH:64])[OH:65])=[O:66].[n:32]1[cH:33][cH:34][n:35]2[c:36]1[CH2:37][NH:38][CH2:39][CH2:40]2>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[n:8][c:9]([N:38]3[CH2:37][c:36]4[n:32][cH:33][cH:34][n:35]4[CH2:40][CH2:39]3)[n:10][c:11]([N:17]3[CH2:18][CH2:19][CH:20]([OH:23])[CH2:21][CH2:22]3)[c:12]2[C:13](=[O:14])[O:15][CH3:16])[cH:27][cH:28][c:29]1[O:30][CH3:31]