HRID1545702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7917

Isopropyl chloroformate

C4H7ClO2

HCID8028

Tetrahydrofuran

C4H8O

结构：CCC1CC(N)CC1c1nnc2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)n12

HCID58009888

未命名化合物

PRODUCTS

生成物

结构：CCC1CC(NC(=O)OC(C)C)CC1c1nnc2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)n12

HCID178436823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-279ba38055e2417095ba38d4fbc590e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([NH2:30])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[cH:18][cH:19]1.[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[Cl:31][C:32](=[O:33])[O:34][CH:35]([CH3:36])[CH3:37]>>[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([NH:30][C:32](=[O:33])[O:34][CH:35]([CH3:36])[CH3:37])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[cH:18][cH:19]1