HRID140757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID95864

Thionaphthene-2-carboxylic acid

C9H6O2S

结构：CC(C)(C)[Si](C)(C)OCCc1cccc(CN2CCC3(CC2)CNCCO3)c1F

HCID57989139

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OCCc1cccc(CN2CCC3(CC2)CN(C(=O)c2cc4ccccc4s2)CCO3)c1F

HCID57989142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f68ee954f6f49d5ab74fc5ce1c9d888
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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