HRID1555727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4351123

未命名化合物

结构：CC(C)(C)OC(=O)NC(Cc1cn(CC(Cl)(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cn1)C(=O)O

HCID178453326

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C(Cc1cn(CC(Cl)(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cn1)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

HCID178465084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d11758386a9486382d0087c93bfc218
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

[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[CH3:57][C:58]([CH3:59])([CH3:60])[O:61][C:62]([CH:63]([NH2:64])[CH3:65])=[O:66].[CH3:68][N:69]([CH3:70])[CH2:71][CH2:72][CH2:73][N:74]=[C:75]=[N:76][CH2:77][CH3:78].[Cl:1][C:2]([CH2:3][n:4]1[cH:5][c:6]([CH2:7][CH:8]([NH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C:17](=[O:18])[OH:19])[n:20][cH:21]1)([C:22](=[O:23])[c:24]1[c:25]([Cl:31])[cH:26][c:27]([Cl:30])[cH:28][cH:29]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:79][CH2:80][Cl:81].[ClH:56].[ClH:67].[OH2:45].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[Cl:1][C:2]([CH2:3][n:4]1[cH:5][c:6]([CH2:7][CH:8]([NH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C:17](=[O:19])[NH:64][CH:63]([C:62]([O:61][C:58]([CH3:57])([CH3:59])[CH3:60])=[O:66])[CH3:65])[n:20][cH:21]1)([C:22](=[O:23])[c:24]1[c:25]([Cl:31])[cH:26][c:27]([Cl:30])[cH:28][cH:29]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1