HRID1216201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

反应SMILES：Brc1ccc2c(c1)nnn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID68750651

未命名化合物

反应SMILES：Bc1cccc(CN(CCCN(C)C)Cc2ccccc2)c1

HCID178419144

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C)CCCN(Cc1ccccc1)Cc1cccc(-c2ccc3c(c2)nnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68748346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0830788ea46f4f9db3c33400fa60b499
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([C:9]([c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:7][n:8]2)[cH:28][cH:29]1.[C:52](=[O:53])([O-:54])[O-:55].[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[N:37]([CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[CH2:44][c:45]1[cH:46][c:47]([BH2:51])[cH:48][cH:49][cH:50]1.[CH3:65][CH2:66][O:67][CH2:68][CH3:69].[Cs+:56].[Cs+:57].[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[OH2:58]>>[c:2]1(-[c:47]2[cH:46][c:45]([CH2:44][N:37]([CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[cH:50][cH:49][cH:48]2)[cH:3][c:4]2[c:5]([n:6]([C:9]([c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:7][n:8]2)[cH:28][cH:29]1