HRID699931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID167544

2-Bromo-3-phenylpropanoic acid

C9H9BrO2

HCID18348119

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1)C(Br)Cc1ccccc1

HCID18348077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d6885a695c240379c713f5b9453a080
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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