HRID2158197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6386

tert-Butyl alcohol

C4H10O

HCID19660

Carbonate

CO3-2

HCID272109

1-chloro-4-phenylphthalazine

C14H9ClN2

HCID66735161

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccccc34)cc2)ccn1

HCID57756271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e134d6712f8484aacfd229d28acc051
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

[C:40]([OH:41])([CH3:42])([CH3:43])[CH3:44].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[Cl:23][c:24]1[n:25][n:26][c:27](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12.[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[n:8][cH:9][cH:10][cH:11][c:12]2-[c:13]2[cH:14][c:15]([NH:19][CH3:20])[n:16][cH:17][cH:18]2)[cH:21][cH:22]1.[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[n:8][cH:9][cH:10][cH:11][c:12]2-[c:13]2[cH:14][c:15]([NH:19][CH3:20])[n:16][cH:17][cH:18]2)[cH:21][cH:22]1)[c:24]1[n:25][n:26][c:27](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12