HRID2151176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID74506

Triphenylmethylphosphonium

C19H18P+

结构：COc1ccc(-c2nnc(Cl)nc2-c2ccc(OC)cc2)cc1

HCID15571594

3-Chloro-5,6-bis(4-methoxyphenyl)-1,2,4-triazine

C17H14ClN3O2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1ccc(-c2nnc(C)nc2-c2ccc(OC)cc2)cc1

HCID44410

Anitrazafen

C18H17N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7b6d8aa9fe0419790a73d5737218ecf
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

[Br-:40].[CH2:6]([Li:7])[CH2:8][CH2:9][CH3:10].[CH3:41][P+:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:11][c:12]1[n:13][n:14][c:15](-[c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[c:16](-[c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[n:17]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[O:1]1[CH2:2][CH2:5][CH2:4][CH2:3]1.[OH2:61]>>[CH3:2][c:12]1[n:13][n:14][c:15](-[c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[c:16](-[c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[n:17]1