Chloroform → N-(2-tetrahydropyranyloxy)-2-[4-isopropylcarbamoyl-7-(5-(4-(5-oxazolyl)phenyl)-2-thienyl)-1,1-dioxoperhydro-1,4-thiazepin-7-yl]acetamide

HRID 1217015Notes

Reaction equation

HRID 1217015 reaction equation
[CH:37]([CH3:38])([CH3:39])[N:40]=[C:41]=[O:42].[CH:43]([Cl:44])([Cl:45])[Cl:46].[O:1]1[CH:2]([O:7][NH:8][C:9]([CH2:10][C:11]2([c:20]3[s:21][c:22](-[c:25]4[cH:26][cH:27][c:28](-[c:31]5[cH:32][n:33][cH:34][o:35]5)[cH:29][cH:30]4)[cH:23][cH:24]3)[CH2:12][CH2:13][NH:14][CH2:15][CH2:16][S:17]2(=[O:18])=[O:19])=[O:36])[CH2:3][CH2:4][CH2:5][CH2:6]1>>[O:1]1[CH:2]([O:7][NH:8][C:9]([CH2:10][C:11]2([c:20]3[s:21][c:22](-[c:25]4[cH:26][cH:27][c:28](-[c:31]5[cH:32][n:33][cH:34][o:35]5)[cH:29][cH:30]4)[cH:23][cH:24]3)[CH2:12][CH2:13][N:14]([C:41]([NH:40][CH:37]([CH3:38])[CH3:39])=[O:42])[CH2:15][CH2:16][S:17]2(=[O:18])=[O:19])=[O:36])[CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 6212ChloroformHCID 61277Isopropyl isocyanateHCID 22276407N-(2-tetrahydropyranyloxy)-2-[7-(5-(4-(5-oxazolyl)phenyl)-2-thienyl)-1,1-dioxoperhydro-1,4-thiazepin-7-yl]acetamide

Product 1

HCID 22276377N-(2-tetrahydropyranyloxy)-2-[4-isopropylcarbamoyl-7-(5-(4-(5-oxazolyl)phenyl)-2-thienyl)-1,1-dioxoperhydro-1,4-thiazepin-7-yl]acetamide

Sources & evidence

ORD record
ord-e611b7861b804698875472a36b1be17c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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