HRID1571465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID15655

Cyclopropane carboxylic acid

C4H6O2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID87689659

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)C(O)C1O)C1CC1

HCID178522281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65bd96329ecc463d8bb78bef02f9e0bb
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

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