HRID944792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID85257

Methanesulfonate

CH3O3S-

HCID58001775

3-(Hydroxymethyl)-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12)-diene-5,11-dione

C11H12N2O3

HCID59295713

未命名化合物

PRODUCTS

生成物

结构：O=C1CCc2ccc(=O)n3c2N1CC3CN1CCC(CNC(=O)C(F)(F)F)C1

HCID178515659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93acd44d338842c2a7f8a1cbc353f5a6
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:31][S:32](=[O:33])(=[O:34])[O-:35].[CH4:30].[Cl:49][CH2:50][Cl:51].[ClH:17].[F:36][C:37]([C:38](=[O:39])[NH:40][CH2:41][CH:42]1[CH2:43][NH:44][CH2:45][CH2:46]1)([F:47])[F:48].[OH:1][CH2:2][CH:3]1[CH2:4][N:5]2[C:6](=[O:16])[CH2:7][CH2:8][c:9]3[cH:10][cH:11][c:12](=[O:15])[n:13]1[c:14]32.[S:25]([Cl:26])([Cl:27])(=[O:28])=[O:29]>>[CH2:2]([CH:3]1[CH2:4][N:5]2[C:6](=[O:16])[CH2:7][CH2:8][c:9]3[cH:10][cH:11][c:12](=[O:15])[n:13]1[c:14]32)[N:44]1[CH2:43][CH:42]([CH2:41][NH:40][C:38]([C:37]([F:36])([F:47])[F:48])=[O:39])[CH2:46][CH2:45]1