HRID2345744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID31268

Pyrrolidine

C4H9N

结构：CCCCn1c(=O)c(NC(=O)Nc2cc(CBr)ccc2C(C)(C)C)c(-c2cccc(OC)c2)c2cccnc21

HCID18467089

未命名化合物

PRODUCTS

生成物

结构：CCCCn1c(=O)c(NC(=O)Nc2cc(CN3CCCC3)ccc2C(C)(C)C)c(-c2cccc(OC)c2)c2cccnc21

HCID15483854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c0af09c4a3741d9805b4f55eb156e52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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