HRID2123204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1150

Tryptamine

C10H12N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID81531

Diisopropylethylamine

C8H19N

结构：NC(=O)CCN1C(=O)C(CC(=O)O)SC1c1ccc(C#Cc2ccccc2)s1

HCID86758382

未命名化合物

PRODUCTS

生成物

结构：NC(=O)CCN1C(=O)C(CC(=O)NCCc2c[nH]c3ccccc23)SC1c1ccc(C#Cc2ccccc2)s1

HCID10231203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bf165a6f53b408db297c65663fd0755
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

[C:1]([NH2:2])(=[O:3])[CH2:4][CH2:5][N:6]1[CH:7]([c:16]2[s:17][c:18]([C:21]#[C:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:19][cH:20]2)[S:8][CH:9]([CH2:12][C:13](=[O:14])[OH:15])[C:10]1=[O:11].[C:41]([P:42](=[O:43])([O:44][CH2:45][CH3:46])[O:47][CH2:48][CH3:49])#[N:50].[CH:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH2:56][CH3:57])([CH3:58])[CH3:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65].[nH:29]1[cH:30][c:31]([CH2:38][CH2:39][NH2:40])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12>>[C:1]([NH2:2])(=[O:3])[CH2:4][CH2:5][N:6]1[CH:7]([c:16]2[s:17][c:18]([C:21]#[C:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:19][cH:20]2)[S:8][CH:9]([CH2:12][C:13](=[O:14])[NH:40][CH2:39][CH2:38][c:31]2[cH:30][nH:29][c:37]3[c:32]2[cH:33][cH:34][cH:35][cH:36]3)[C:10]1=[O:11]