HRID2157066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID144

(+/-)-5-Hydroxytryptophan

C11H12N2O3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：O=C(O)c1ccc2c(c1)nc(-c1ccc3ncc(-c4ccccc4)nc3c1)n2C1CCCCC1

HCID5275974

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O)c1ccc2c(c1)nc(-c1ccc3ncc(-c4ccccc4)nc3c1)n2C1CCCCC1

HCID5276161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15359a14db19459bad6013e2bf5e6226
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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