HRID126387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID9731

4-Fluoroaniline

C6H6FN

结构：CCc1ccc(N2Cc3cnc(Cl)nc3N(C3CCC(O[Si](C)(C)C(C)(C)C)C3)C2=O)cc1

HCID21939314

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(N2Cc3cnc(Nc4ccc(F)cc4)nc3N(C3CCC(O[Si](C)(C)C(C)(C)C)C3)C2=O)cc1

HCID21939333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f20dcfd8d9b84a8a91507800245aeac1
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][CH:9]([N:12]2[C:13](=[O:31])[N:14]([c:23]3[cH:24][cH:25][c:26]([CH2:29][CH3:30])[cH:27][cH:28]3)[CH2:15][c:16]3[c:17]2[n:18][c:19]([Cl:22])[n:20][cH:21]3)[CH2:10][CH2:11]1)([CH3:32])[CH3:33].[CH3:54][CH:55]([OH:56])[CH3:57].[Cl:58][CH2:59][Cl:60].[NH2:34][c:35]1[cH:36][cH:37][c:38]([F:39])[cH:40][cH:41]1.[OH2:42].[c:43]1([CH3:44])[cH:45][cH:46][c:47]([S:48]([OH:49])(=[O:50])=[O:51])[cH:52][cH:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][CH:9]([N:12]2[C:13](=[O:31])[N:14]([c:23]3[cH:24][cH:25][c:26]([CH2:29][CH3:30])[cH:27][cH:28]3)[CH2:15][c:16]3[c:17]2[n:18][c:19]([NH:34][c:35]2[cH:36][cH:37][c:38]([F:39])[cH:40][cH:41]2)[n:20][cH:21]3)[CH2:10][CH2:11]1)([CH3:32])[CH3:33]