HRID668005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6422

未命名化合物

HCID12052

Silane, triethyl-

C6H16Si

结构：OC(c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncccc12

HCID57588067

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1

HCID11545419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54c06abec43045c498b803dcbbcbe971
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

[C:44](=[O:45])([OH:46])[O-:47].[CH2:37]([SiH:38]([CH2:39][CH3:40])[CH2:41][CH3:42])[CH3:43].[Na+:48].[OH:30][C:31]([C:32]([F:33])([F:34])[F:35])=[O:36].[nH:1]1[cH:2][c:3]([CH:10]([OH:11])[c:12]2[cH:13][n:14][c:15]([NH:18][CH2:19][c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[cH:16][cH:17]2)[c:4]2[c:5]1[n:6][cH:7][cH:8][cH:9]2>>[nH:1]1[cH:2][c:3]([CH2:10][c:12]2[cH:13][n:14][c:15]([NH:18][CH2:19][c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[cH:16][cH:17]2)[c:4]2[c:5]1[n:6][cH:7][cH:8][cH:9]2