HRID1234400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID2155

2-Aminothiazole

C3H4N2S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID22936301

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Sc3ncc(NC(=O)Nc4nccs4)s3)c2cc1OC

HCID22936997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1924bcba946f40968e96ea3f99f3773f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([S:15][c:16]3[s:17][c:18]([NH2:21])[cH:19][n:20]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[Cl:28][C:29](=[O:30])[O:31][c:32]1[cH:33][cH:34][c:35]([N+:36]([O-:37])=[O:38])[cH:39][cH:40]1.[NH2:41][c:42]1[s:43][cH:44][cH:45][n:46]1.[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:52].[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([S:15][c:16]3[s:17][c:18]([NH:21][C:29](=[O:30])[NH:41][c:42]4[s:43][cH:44][cH:45][n:46]4)[cH:19][n:20]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]