HRID1562553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID69312488

未命名化合物

HCID178511393

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(CO)c1nc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CCCC2)c(Br)c1

HCID178523450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d81a1bce4afa463aa7178eacc9548ce9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[B-:18]([F:19])([F:20])([F:21])[F:22].[Br: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.[Br:64].[CH3:70][OH:71].[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]([nH:54][c:55]([CH:57]([CH2:58][OH:59])[NH2:60])[n:56]2)[cH:61][cH:62]1.[Cl:63].[Cl:72][CH2:73][Cl:74].[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>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:60][CH:57]([c:55]2[nH:54][c:53]3[c:52]([cH:51][c:50]([Cl:49])[cH:62][cH:61]3)[n:56]2)[CH2:58][OH:59])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1