HRID208113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID319954

2-Amino-6-fluorobenzothiazole

C7H5FN2S

HCID59334800

未命名化合物

HCID59334809

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2ccc(F)cc2s1)C1=CCN(c2ncc(Br)cc2F)CC1

HCID59334794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0ce160d98fc49c69e9b86498bdc9fc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:17])[c:5]([N:8]2[CH2:9][CH2:10][C:11]([C:14](=[O:15])[OH:16])=[CH:12][CH2:13]2)[n:6][cH:7]1.[Br:41][c:42]1[cH:43][c:44]([F:45])[c:46]([N:47]2[CH2:48][CH:49]=[C:50]([C:51]([Cl:52])=[O:53])[CH2:54][CH2:55]2)[n:56][cH:57]1.[CH3:39][OH:40].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[NH2:22][c:23]1[s:24][c:25]2[c:26]([n:27]1)[cH:28][cH:29][c:30]([F:32])[cH:31]2.[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[S:18]([Cl:19])([Cl:20])=[O:21].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[Br:1][c:2]1[cH:3][c:4]([F:17])[c:5]([N:8]2[CH2:9][CH2:10][C:11]([C:14](=[O:16])[NH:22][c:23]3[s:24][c:25]4[c:26]([n:27]3)[cH:28][cH:29][c:30]([F:32])[cH:31]4)=[CH:12][CH2:13]2)[n:6][cH:7]1