HRID2326632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6503

Tromethamine

C4H11NO3

HCID28486

Lithium ion

Li+

HCID73753

3-(Trifluoromethoxy)aniline

C7H6F3NO

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID3280088

未命名化合物

结构：CNc1cc(-c2cccnc2Nc2c(C)ccc3c(Cl)nccc23)ncn1

HCID58942265

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(-c2cccnc2Nc2c(C)ccc3c(Nc4cccc(OC(F)(F)F)c4)nccc23)ncn1

HCID67341470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1f7f8d44f3f4d33b143f787cc3f94b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:76][Si:77]([N-:78][Si:79]([CH3:80])([CH3:81])[CH3:82])([CH3:83])[CH3:84].[CH:48]1([P:49]([CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2-[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[N:68]([CH3:69])[CH3:70])[CH2:71][CH2:72][CH2:73][CH2:74][CH2:75]1.[Cl:13][c:14]1[n:15][cH:16][cH:17][c:18]2[c:19]([NH:25][c:26]3[n:27][cH:28][cH:29][cH:30][c:31]3-[c:32]3[n:33][cH:34][n:35][c:36]([NH:38][CH3:39])[cH:37]3)[c:20]([CH3:24])[cH:21][cH:22][c:23]12.[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([NH2:7])[cH:8][cH:9][cH:10]1)([F:11])[F:12].[Li+:85].[NH2:40][C:41]([CH2:42][OH:43])([CH2:44][OH:45])[CH2:46][OH:47]>>[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([NH:7][c:14]2[n:15][cH:16][cH:17][c:18]3[c:19]([NH:25][c:26]4[n:27][cH:28][cH:29][cH:30][c:31]4-[c:32]4[n:33][cH:34][n:35][c:36]([NH:38][CH3:39])[cH:37]4)[c:20]([CH3:24])[cH:21][cH:22][c:23]23)[cH:8][cH:9][cH:10]1)([F:11])[F:12]