HRID296004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4137383

4-Benzo[b]thien-2-ylbenzoic acid

C15H10O2S

结构：O=C1CC2(CCNCC2)Oc2ccc(-c3nnn[nH]3)cc21

HCID178515376

未命名化合物

PRODUCTS

生成物

结构：O=C1CC2(CCN(C(=O)c3ccc(-c4cc5ccccc5s4)cc3)CC2)Oc2ccc(-c3nnn[nH]3)cc21

HCID178515383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-583d2528876f4ad0afb78e54c2dda5b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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