HRID154489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11464

4-Bromobenzoic acid

C7H5BrO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(NC(=O)c3ccco3)cc(-c3cccc(Cl)c3)c2c1

HCID22136488

未命名化合物

HCID178458057

未命名化合物

PRODUCTS

生成物

结构：Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(NC(=O)c3ccc(Br)cc3)cc(-c3cccc(Cl)c3)c2c1

HCID22136480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0cd54e110a14a109fd14294333cef51
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

[Br:41][c:42]1[cH:43][cH:44][c:45]([C:46](=[O:47])[OH:48])[cH:49][cH:50]1.[CH2:52]([C:53]([NH:54][CH2:55][CH2:56][CH2:57][N:58]([CH3:59])[CH3:60])=[NH:61])[CH3:62].[CH2:80]1[O:81][CH2:82][CH2:83][CH2:84]1.[CH3:73][CH2:74][N:75]([CH2:76][CH3:77])[CH2:78][CH3:79].[CH3:86][CH2:87][O:88][C:89]([CH3:90])=[O:91].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]([NH:33][C:34]([c:35]3[o:36][cH:37][cH:38][cH:39]3)=[O:40])[n:11][c:12]3[cH:13][cH:14][c:15]([C:18]([c:19]4[cH:20][n:21][cH:22][n:23]4[CH3:24])([OH:25])[c:26]4[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7]1.[ClH:51].[OH2:85].[OH:63][n:64]1[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]([NH:33][C:46]([c:45]3[cH:44][cH:43][c:42]([Br:41])[cH:50][cH:49]3)=[O:48])[n:11][c:12]3[cH:13][cH:14][c:15]([C:18]([c:19]4[cH:20][n:21][cH:22][n:23]4[CH3:24])([OH:25])[c:26]4[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7]1