HRID2158349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID283

Formic acid, ion(1-)

CHO2-

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

结构：Ic1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1

HCID21952131

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1

HCID54088438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1d1fd7a50a54899a10dc0a0a1d5e214
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

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