HRID189004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID4661317

tetrahydrofuran-3-carboxylic acid

C5H8O3

结构：Cc1c(CN2CCN(c3nccnc3-c3ccc(CN)cc3)CC2)cnn1C

HCID59322009

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CN2CCN(c3nccnc3-c3ccc(CNC(=O)C4CCOC4)cc3)CC2)cnn1C

HCID59322067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb3a8b41d3584d02bb0e27a455276cb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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