HRID2155304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID12921440

3-(Methylsulfanyl)propanoyl chloride

C4H7ClOS

结构：NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21

HCID56851357

未命名化合物

PRODUCTS

生成物

结构：CSCCC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21

HCID67521404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb4cfc5d693c407785b13609e558aee3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][S:42][CH2:43][CH2:44][C:45](=[O:46])[Cl:47].[ClH:1].[ClH:2].[NH2:3][CH2:4][CH2:5][n:6]1[cH:7][cH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH:15][c:16]3[cH:17][c:18]([Cl:33])[c:19]([O:22][c:23]4[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]4)[cH:20][cH:21]3)[c:14]12.[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:48]>>[NH:3]([CH2:4][CH2:5][n:6]1[cH:7][cH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH:15][c:16]3[cH:17][c:18]([Cl:33])[c:19]([O:22][c:23]4[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]4)[cH:20][cH:21]3)[c:14]12)[C:45]([CH2:44][CH2:43][S:42][CH3:41])=[O:46]