HRID92038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID6212

Chloroform

CHCl3

HCID6422

未命名化合物

HCID33558

Azide

N3-

结构：C=C(C)c1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)n2)c1

HCID66612146

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)(C)N=[N+]=[N-])cnc3Nc3ccc(OC)nc3)n2)cc1

HCID86647064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-334f1a21f7e84ffd9c76f9d54985c1c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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