HRID203387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID84810

4-Morpholinecarbonyl chloride

C5H8ClNO2

结构：Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5ccccc5)CCNCC4)c3F)s2)c1

HCID25032856

未命名化合物

PRODUCTS

生成物

结构：Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5ccccc5)CCN(C(=O)N5CCOCC5)CC4)c3F)s2)c1

HCID59321355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-280b1be6fb1c44bb8ff80ffeba092534
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

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