HRID1118871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

2 次

HCID7238

2-Chlorotoluene

C7H7Cl

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

结构：c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID82124

Phosphine, 1,4-butanediylbis[diphenyl-

C28H28P2

HCID573220

3-Isopropoxyaniline

C9H13NO

PRODUCTS

生成物

HCID41632

Mepronil

C17H19NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9108d2144882437282fc16076d6b2e66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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