HRID1547995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID77487

Monomethyl succinate

C5H8O4

结构：C=C(C)C1CCC(C)C2(O)C1C=C(C)C(O)C2OC(=O)C1CC2(O)c3cccc(Cl)c3N(C)OC2N1

HCID178439001

未命名化合物

PRODUCTS

生成物

结构：C=C(C)C1CCC(C)C2(O)C1C=C(C)C(OC(=O)CCC(=O)OC)C2OC(=O)C1CC2(O)c3cccc(Cl)c3N(C)OC2N1

HCID178439002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9b55b8297b1448a9a98eccf6b28c4db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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