HRID169141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID9731

4-Fluoroaniline

C6H6FN

结构：CCc1ccc(N2Cc3cnc(Cl)nc3N(C(C)CO[Si](C)(C)C(C)(C)C)C2=O)cc1

HCID21939311

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(N2Cc3cnc(Nc4ccc(F)cc4)nc3N(C(C)CO[Si](C)(C)C(C)(C)C)C2=O)cc1

HCID21939284

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a7e1d940dbb4e3d8bb22865b0c6d70b
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:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH:8]([CH3:9])[N:10]1[C:11](=[O:29])[N:12]([c:21]2[cH:22][cH:23][c:24]([CH2:27][CH3:28])[cH:25][cH:26]2)[CH2:13][c:14]2[c:15]1[n:16][c:17]([Cl:20])[n:18][cH:19]2)([CH3:30])[CH3:31].[CH3:40][CH:41]([OH:42])[CH3:43].[Cl:44][CH2:45][Cl:46].[NH2:32][c:33]1[cH:34][cH:35][c:36]([F:37])[cH:38][cH:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH:8]([CH3:9])[N:10]1[C:11](=[O:29])[N:12]([c:21]2[cH:22][cH:23][c:24]([CH2:27][CH3:28])[cH:25][cH:26]2)[CH2:13][c:14]2[c:15]1[n:16][c:17]([NH:32][c:33]1[cH:34][cH:35][c:36]([F:37])[cH:38][cH:39]1)[n:18][cH:19]2)([CH3:30])[CH3:31]