HRID120948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID4641409

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

C10H15N6O+

结构：Cc1ccc(S(=O)(=O)N2CCNC(=O)C2CC(=O)O)cc1

HCID62034053

未命名化合物

结构：Cc1noc(-c2ccccc2-c2ccc3c(c2)CCCC3N)n1

HCID178434725

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)N2CCNC(=O)C2CC(=O)NC2CCCc3cc(-c4ccccc4-c4nc(C)no4)ccc32)cc1

HCID59747954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fda9f8becc24cedb0b5e09b9c7dc488
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

[CH3:1][c:2]1[n:3][o:4][c:5](-[c:7]2[c:8](-[c:13]3[cH:14][c:15]4[c:20]([cH:21][cH:22]3)[CH:19]([NH2:23])[CH2:18][CH2:17][CH2:16]4)[cH:9][cH:10][cH:11][cH:12]2)[n:6]1.[CH3:69][CH2:70][N:71]=[C:72]=[N:73][CH2:74][CH2:75][CH2:76][N:77]([CH3:78])[CH3:79].[Cl:80][CH2:81][Cl:82].[O:24]=[C:25]1[CH:26]([CH2:41][C:42](=[O:43])[OH:44])[N:27]([S:31](=[O:32])(=[O:33])[c:34]2[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]2)[CH2:28][CH2:29][NH:30]1.[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[CH3:1][c:2]1[n:3][o:4][c:5](-[c:7]2[c:8](-[c:13]3[cH:14][c:15]4[c:20]([cH:21][cH:22]3)[CH:19]([NH:23][C:42]([CH2:41][CH:26]3[C:25](=[O:24])[NH:30][CH2:29][CH2:28][N:27]3[S:31](=[O:32])(=[O:33])[c:34]3[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]3)=[O:43])[CH2:18][CH2:17][CH2:16]4)[cH:9][cH:10][cH:11][cH:12]2)[n:6]1