HRID108557

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1004

Phosphoric acid

H3O4P

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81669

1-(2-Chloroethyl)pyrrolidine

C6H12ClN

结构：CC(C)(C)OC(=O)N1CCC(c2nc(I)c(I)[nH]2)CC1

HCID67112091

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2nc(I)c(I)n2CCN2CCCC2)CC1

HCID67112102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97f9803e5a5047a0bd7f78f5bbda72a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[Cl:24][CH2:25][CH2:26][N:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[ClH:23].[I:3][c:4]1[n:5][c:6]([CH:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]2)[nH:7][c:8]1[I:9].[K+:2].[OH-:1].[OH2:44].[P:32](=[O:33])([OH:34])([OH:35])[OH:36]>>[I:3][c:4]1[n:5][c:6]([CH:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]2)[n:7]([CH2:25][CH2:26][N:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[c:8]1[I:9]