HRID2130679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID59427320

未命名化合物

结构：Oc1ccc(Nc2nnc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1

HCID136381725

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(Oc3ccc(Nc4nnc(-c5ccc(C(F)(F)F)cc5)c5ccccc45)cc3)c(F)cnc2c1

HCID59427330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-511406996688447f96985ac5b4434d45
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:43](=[O:44])([O-:45])[O-:46].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:1][c:2]1[c:3]([F:14])[cH:4][n:5][c:6]2[cH:7][c:8]([O:12][CH3:13])[cH:9][cH:10][c:11]12.[Cl:57][CH2:58][Cl:59].[Cs+:47].[Cs+:48].[F:15][C:16]([c:17]1[cH:18][cH:19][c:20](-[c:23]2[n:24][n:25][c:26]([NH:33][c:34]3[cH:35][cH:36][c:37]([OH:40])[cH:38][cH:39]3)[c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]23)[cH:21][cH:22]1)([F:41])[F:42].[OH2:56]>>[c:2]1([O:40][c:37]2[cH:36][cH:35][c:34]([NH:33][c:26]3[n:25][n:24][c:23](-[c:20]4[cH:19][cH:18][c:17]([C:16]([F:15])([F:41])[F:42])[cH:22][cH:21]4)[c:32]4[c:27]3[cH:28][cH:29][cH:30][cH:31]4)[cH:39][cH:38]2)[c:3]([F:14])[cH:4][n:5][c:6]2[cH:7][c:8]([O:12][CH3:13])[cH:9][cH:10][c:11]12