HRID141478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)O)cc1C(F)(F)F

HCID22184601

未命名化合物

HCID43373695

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(NS(=O)(=O)N2CCN(C(=O)C(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)Cc3cc(Cl)c(N)c(C(F)(F)F)c3)CC2)CC1

HCID178480494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af9241005a5f4cb9860d543fae2d3edd
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

[B-:39]([F:40])([F:41])([F:42])[F:43].[CH2:61]([N:62]([CH:63]([CH3:64])[CH3:65])[CH:66]([CH3:67])[CH3:68])[CH3:69].[CH2:87]1[O:88][CH2:89][CH2:90][CH2:91]1.[CH3:70][N:71]1[CH2:72][CH2:73][CH:74]([NH:77][S:78](=[O:79])(=[O:80])[N:81]2[CH2:82][CH2:83][NH:84][CH2:85][CH2:86]2)[CH2:75][CH2:76]1.[CH3:92][CH2:93][O:94][C:95]([CH3:96])=[O:97].[NH2:1][c:2]1[c:3]([Cl:38])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:30])[NH:21][c:22]4[c:23]([cH:26][cH:27][cH:28][cH:29]4)[CH2:24][CH2:25]3)[CH2:17][CH2:18]2)=[O:31])[cH:32][c:33]1[C:34]([F:35])([F:36])[F:37].[O:98]=[CH:99][N:100]([CH3:101])[CH3:102].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[NH2:1][c:2]1[c:3]([Cl:38])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[N:84]2[CH2:83][CH2:82][N:81]([S:78]([NH:77][CH:74]3[CH2:73][CH2:72][N:71]([CH3:70])[CH2:76][CH2:75]3)(=[O:79])=[O:80])[CH2:86][CH2:85]2)[CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:30])[NH:21][c:22]4[c:23]([cH:26][cH:27][cH:28][cH:29]4)[CH2:24][CH2:25]3)[CH2:17][CH2:18]2)=[O:31])[cH:32][c:33]1[C:34]([F:35])([F:36])[F:37]