HRID1219145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID12060

Benzoic acid, 3-iodo-

C7H5IO2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID11105409

1-(pyridin-2-yl)cyclopropanamine

C8H10N2

PRODUCTS

生成物

HCID67217652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62617f064b0e44559f6768aa261d4db9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:21][CH2:22][N:23]=[C:24]=[N:25][CH2:26][CH2:27][CH2:28][N:29]([CH3:30])[CH3:31].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:52][CH2:53][Cl:54].[ClH:32].[I:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][cH:10]1.[OH2:55].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[n:11]1[c:12]([C:17]2([NH2:20])[CH2:18][CH2:19]2)[cH:13][cH:14][cH:15][cH:16]1>>[I:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:20][C:17]2([c:12]3[n:11][cH:16][cH:15][cH:14][cH:13]3)[CH2:18][CH2:19]2)[cH:8][cH:9][cH:10]1