HRID157158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID3732841

2-(Methylsulfonyl)acetic acid

C3H6O4S

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：CCCCc1nc2c(N)nc3ccccc3c2n1CCCNCc1ccc(CC(=O)OC)cc1

HCID25106601

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CS(C)(=O)=O

HCID25106777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a91678e0f9ff4ab8b25dca0c89cdb5b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:35][S:36](=[O:37])(=[O:38])[CH2:39][C:40](=[O:41])[OH:42].[Cl:67][CH2:68][Cl:69].[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:31][CH2:32][CH2:33][CH3:34])[n:14]2[CH2:15][CH2:16][CH2:17][NH:18][CH2:19][c:20]1[cH:21][cH:22][c:23]([CH2:26][C:27](=[O:28])[O:29][CH3:30])[cH:24][cH:25]1.[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:31][CH2:32][CH2:33][CH3:34])[n:14]2[CH2:15][CH2:16][CH2:17][N:18]([CH2:19][c:20]1[cH:21][cH:22][c:23]([CH2:26][C:27](=[O:28])[O:29][CH3:30])[cH:24][cH:25]1)[C:40]([CH2:39][S:36]([CH3:35])(=[O:37])=[O:38])=[O:41]