HRID113646

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

HCID63023640

N-[1-(5-chlorobenzimidazol-2-yl)ethyl]ethylamine

C11H14ClN3

PRODUCTS

产物

HCID178464778

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-83a2dbc87dea4fc69826628cd0a0e508
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

[B-:18]([F:19])([F:20])([F:21])[F:22].[CH2:70]([OH:71])[CH3:72].[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:49][c:50]1[cH:51][c:52]2[c:53]([n:54][c:55]([CH:57]([CH3:58])[NH:59][CH2:60][CH3:61])[nH:56]2)[cH:62][cH:63]1.[Cl:64].[Cl:73][CH2:74][Cl:75].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]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])[N:59]([CH:57]([c:55]2[nH:54][c:53]3[c:52]([cH:51][c:50]([Cl:49])[cH:63][cH:62]3)[n:56]2)[CH3:58])[CH2:60][CH3:61])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1