HRID2149255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8304

Tripropan-2-yl phosphite

C9H21O3P

HCID31374

Dimethylacetamide

C4H9NO

结构：On1c(-c2c(Cl)cncc2Cl)nc2c1-c1cnccc1Nc1ncccc1-2

HCID66886986

未命名化合物

PRODUCTS

生成物

结构：Clc1cncc(Cl)c1-c1nc2c([nH]1)-c1cnccc1Nc1ncccc1-2

HCID178478281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e477aa1aff254068a8b0418efaf24b09
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

[CH3:41][N:42]([CH3:43])[C:44](=[O:45])[CH3:46].[CH3:47][C:48]#[N:49].[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:27])[c:7]1-[c:8]1[n:9]([OH:26])[c:10]2[c:11]([n:25]1)-[c:12]1[c:13]([n:21][cH:22][cH:23][cH:24]1)[NH:14][c:15]1[c:16]-2[cH:17][n:18][cH:19][cH:20]1.[OH2:50].[P:28]([O:29][CH:30]([CH3:31])[CH3:32])([O:33][CH:34]([CH3:35])[CH3:36])[O:37][CH:38]([CH3:39])[CH3:40]>>[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:27])[c:7]1-[c:8]1[nH:9][c:10]2[c:11]([n:25]1)-[c:12]1[c:13]([n:21][cH:22][cH:23][cH:24]1)[NH:14][c:15]1[c:16]-2[cH:17][n:18][cH:19][cH:20]1