HRID671407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID13035313

未命名化合物

结构：c1ccc(P(c2ccccc2)c2cc3ccccc3c(-c3cccc4ccccc34)c2P(c2ccccc2)c2ccccc2)cc1

HCID18630801

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)ccc2n1

HCID57444313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8887273683334b01a97b6ed8425ae1bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH3:13])[n:7][c:8]2[cH:9][cH:10][c:11]1[F:12].[C:73](=[O:74])([O-:75])[O-:76].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[Cs+:77].[Cs+:78].[N:14]1([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1.[c:27]1([P:28]([c:29]2[c:30]([P:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:44](-[c:45]3[c:46]4[c:47]([cH:48][cH:49][cH:50][cH:51]4)[cH:52][cH:53][cH:54]3)[c:55]3[c:56]([cH:57]2)[cH:58][cH:59][cH:60][cH:61]3)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[c:2]1([N:17]2[CH2:16][CH2:15][N:14]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:19][CH2:18]2)[c:3]2[cH:4][cH:5][c:6]([CH3:13])[n:7][c:8]2[cH:9][cH:10][c:11]1[F:12]