HRID1115366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID30165

Iodide ion

I-

HCID76652

Phenylalaninol

C9H13NO

结构：CCC(=O)NC1CC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)C(O)C1O

HCID87240175

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)NC1CC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NC(CO)Cc4ccccc4)nc32)C(O)C1O

HCID178460064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e09825f8cea2458dbc08dae75be87ebb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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