HRID2141532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID33558

Azide

N3-

结构：Cc1nnnn1-c1cc(COC2CCCN(CC#CCCl)C2c2ccccc2)cc(C(F)(F)F)c1

HCID18942154

未命名化合物

PRODUCTS

生成物

结构：Cc1nnnn1-c1cc(COC2CCCN(CC#CCN=[N+]=[N-])C2c2ccccc2)cc(C(F)(F)F)c1

HCID178434704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3d2d8c8702f4bb1b24da57eba232104
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](=[O:41])([O-:42])[OH:43].[CH3:46][S:47](=[O:48])[CH3:49].[Cl:5][CH2:6][C:7]#[C:8][CH2:9][N:10]1[CH:11]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH:12]([O:16][CH2:17][c:18]2[cH:19][c:20](-[n:28]3[n:29][n:30][n:31][c:32]3[CH3:33])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]2)[CH2:13][CH2:14][CH2:15]1.[N-:2]=[N+:3]=[N-:4].[Na+:1].[Na+:44].[OH2:45]>>[N:2](=[N+:3]=[N-:4])[CH2:6][C:7]#[C:8][CH2:9][N:10]1[CH:11]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH:12]([O:16][CH2:17][c:18]2[cH:19][c:20](-[n:28]3[n:29][n:30][n:31][c:32]3[CH3:33])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]2)[CH2:13][CH2:14][CH2:15]1