HRID1543065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

HCID7183041

1-methyl-4,4'-bipiperidine

C11H22N2

结构：Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O)cc1C(F)(F)F

HCID12094449

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(C2CCN(C(=O)C(CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)Cc3cc(Cl)c(N)c(C(F)(F)F)c3)CC2)CC1

HCID10259192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d80298e696c4bda8cdd13c80d1f5096
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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