HRID687425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID7672

Phenyl isocyanate

C7H5NO

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

结构：CC1(c2ccccc2)OC(=O)C(Cl)(Cl)C(C(Cl)(Cl)Cl)N1O

HCID21322128

N-hydroxy-2-methyl-2-phenyl-4-trichloromethyl-5,5-dichloro-6-oxotetrahydro-1,3-oxazine

C12H10Cl5NO3

PRODUCTS

生成物

结构：CC1(c2ccccc2)OC(=O)C(Cl)(Cl)C(C(Cl)(Cl)Cl)N1OC(=O)Nc1ccccc1

HCID21322127

N-(phenylcarbamyloxy)-2-methyl-2-phenyl-4-trichloromethyl-5,5-dichloro-6-oxotetrahydro-1,3-oxazine

C19H15Cl5N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-810d9e35b59e42558f00333fbf5f0d15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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