HRID687672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID70357

[1,1'-Biphenyl]-2-carboxylic acid

C13H10O2

HCID12563768

[1,1'-Biphenyl]-2-carbonyl chloride

C13H9ClO

反应SMILES：Nc1ccc(CN2C(=O)C=C(CCO)Sc3ccccc32)cc1

HCID18387440

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Nc1ccc(CN2C(=O)C=C(CCO)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1

HCID18387431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-055fd52b5e2d48cdad57810ddf83d593
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

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[OH2:54].[OH:1][CH2:2][CH2:3][C:4]1=[CH:10][C:9](=[O:11])[N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([NH2:19])[cH:17][cH:18]2)[c:7]2[c:6]([cH:23][cH:22][cH:21][cH:20]2)[S:5]1.[c:24]1(-[c:30]2[c:31]([C:32](=[O:33])[Cl:34])[cH:35][cH:36][cH:37][cH:38]2)[cH:25][cH:26][cH:27][cH:28][cH:29]1.[c:39]1(-[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]([C:47]([OH:48])=[O:49])[cH:50][cH:51][cH:52][cH:53]1>>[OH:1][CH2:2][CH2:3][C:4]1=[CH:10][C:9](=[O:11])[N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([NH:19][C:32]([c:31]3[c:30](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:38][cH:37][cH:36][cH:35]3)=[O:33])[cH:17][cH:18]2)[c:7]2[c:6]([cH:23][cH:22][cH:21][cH:20]2)[S:5]1