HRID1229545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID72911

5-Iodoanthranilic acid

C7H6INO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)OC(=O)C(Cc1ccc(N)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID86060086

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)C(Cc1ccc(NC(=O)c2cc(I)ccc2N)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID178459500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7e62a8483ca40c8b109db927bea37f7
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

[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([CH:6]([NH:7][C:8]([c:9]1[c:10]([Cl:16])[cH:11][cH:12][cH:13][c:14]1[Cl:15])=[O:17])[CH2:18][c:19]1[cH:20][cH:21][c:22]([NH2:25])[cH:23][cH:24]1)=[O:26].[ClH:49].[I:38][c:39]1[cH:40][cH:41][c:42]([NH2:48])[c:43]([C:44](=[O:45])[OH:46])[cH:47]1.[OH2:27].[OH:28][n:29]1[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([CH:6]([NH:7][C:8]([c:9]1[c:10]([Cl:16])[cH:11][cH:12][cH:13][c:14]1[Cl:15])=[O:17])[CH2:18][c:19]1[cH:20][cH:21][c:22]([NH:25][C:44]([c:43]2[c:42]([NH2:48])[cH:41][cH:40][c:39]([I:38])[cH:47]2)=[O:45])[cH:23][cH:24]1)=[O:26]