HRID674612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1cc(O)cc(C)c1CC(NC(=O)OC(C)(C)C)C(=O)O

HCID13656656

未命名化合物

HCID178457142

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(O)cc(C)c1CC(NC(=O)OC(C)(C)C)C(=O)N(C(C)C)C(C)c1nc(-c2ccccc2)c[nH]1

HCID178429012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab23542047e042f69a995396a706a0a8
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

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