HRID148961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

O-benzotriazol-1-yl-tetramethyluronium

C11H16N5O+

HCID12068686

未命名化合物

HCID178459574

未命名化合物

PRODUCTS

产物

HCID178459580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-22ea1b94cd034049a424f9018db7b111
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

[B-:18]([F:19])([F:20])([F:21])[F:22].[CH2:49]([CH:50]=[CH2:51])[O:52][C:53](=[O:54])[CH2:55][CH:56]([c:57]1[n:58][c:59]2[c:60]([nH:61]1)[cH:62][cH:63][c:64]([Cl:66])[cH:65]2)[NH2:67].[CH2:74]([OH:75])[CH3:76].[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1.[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:68].[Cl:77][CH2:78][Cl:79].[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:67][CH:56]([CH2:55][C:53]([O:52][CH2:49][CH:50]=[CH2:51])=[O:54])[c:57]2[n:58][c:59]3[c:60]([nH:61]2)[cH:62][cH:63][c:64]([Cl:66])[cH:65]3)[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1