HRID114468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID6919

2-Furancarboxylic acid

C5H4O3

HCID3036794

RX-RA 85

C22H27N7OS2

PRODUCTS

产物

HCID11444425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bc96e208ea4b4c0d83b5506d8968eb44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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