HRID142629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID24591

Bismuthine, trichloro-

BiCl3

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(S(=O)(=O)OCC2(C(F)(F)F)CO2)cc1

HCID24809749

未命名化合物

HCID24938059

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NCC2(C(F)(F)F)CO2)c2cnn(-c3ccccc3)c2c1

HCID24938055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd43417b509b4203860f5f24ba210dc7
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

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