HRID186734

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID947

Nitrogen

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID145556

未命名化合物

HCID449473

4-hydroxy-3-iodobenzoic acid

C7H5IO3

PRODUCTS

生成物

HCID22237564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0372bfa56214433a8f113e6a8b861eaa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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