HRID168393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1140

Toluene

C7H8

HCID6597

Dichloroacetic acid

C2H2Cl2O2

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

结构：O=C(NC(Cc1ccccc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1

HCID178523177

未命名化合物

PRODUCTS

生成物

结构：O=C1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1

HCID54326711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4723296f00bf4f3fa2cce21abf69511f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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